5RT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | S2 | doub | 1.42Å | 1.46Å | |
| O | S2 | doub | 1.42Å | 1.45Å | |
| S2 | C12 | sing | 1.76Å | 1.77Å | |
| S2 | N | sing | 1.66Å | 1.80Å | |
| F3 | C11 | sing | 1.40Å | 1.36Å | |
| C14 | C13 | sing | 1.46Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.34Å | 1.36Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.36Å | Aromatic |
| C12 | C20 | sing | 1.37Å | 1.38Å | Aromatic |
| C10 | N | sing | 1.46Å | 1.48Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C13 | C17 | sing | 1.41Å | 1.38Å | Aromatic |
| N | CA | sing | 1.40Å | 1.50Å | |
| C20 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | F1 | sing | 1.40Å | 1.35Å | |
| C11 | F2 | sing | 1.40Å | 1.35Å | |
| C15 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| C17 | N3 | sing | 1.38Å | 1.36Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| N3 | C16 | sing | 1.47Å | 1.45Å | |
| C19 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| CB | CA | doub | 1.39Å | 1.38Å | Aromatic |
| CB | CG | sing | 1.38Å | 1.37Å | Aromatic |
| CA | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| CD2 | CG | sing | 1.51Å | 1.48Å | |
| CD2 | CE2 | sing | 1.53Å | 1.51Å | |
| CG | CD1 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | CE1 | doub | 1.38Å | 1.38Å | Aromatic |
| CE2 | C25 | sing | 1.53Å | 1.52Å | |
| CD1 | CE1 | sing | 1.39Å | 1.38Å | Aromatic |
| CD1 | N1 | sing | 1.40Å | 1.41Å | |
| C25 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | C1 | sing | 1.35Å | 1.38Å | |
| C5 | C2 | doub | 1.37Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.37Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.47Å | 1.42Å | |
| C1 | OH | doub | 1.22Å | 1.22Å | |
| C2 | S1 | sing | 1.76Å | 1.70Å | Aromatic |
| C4 | C3 | doub | 1.34Å | 1.37Å | Aromatic |
| C3 | S1 | sing | 1.71Å | 1.71Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| CE1 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| CB | H16 | sing | 1.08Å | 1.08Å | |
| CD2 | H17 | sing | 1.09Å | 1.10Å | |
| CD2 | H18 | sing | 1.09Å | 1.10Å | |
| CE2 | H19 | sing | 1.09Å | 1.10Å | |
| CE2 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | S2 | O | 121.5° | 123.2° |
| O3 | S2 | C12 | 108.4° | 106.4° |
| O3 | S2 | N | 111.9° | 106.4° |
| O | S2 | C12 | 104.7° | 106.4° |
| O | S2 | N | 110.3° | 106.4° |
| C12 | S2 | N | 96.9° | 107.2° |
| S2 | C12 | C13 | 117.1° | 120.1° |
| S2 | C12 | C20 | 122.3° | 120.1° |
| S2 | N | C10 | 122.9° | 120.0° |
| S2 | N | CA | 112.1° | 120.0° |
| F3 | C11 | C10 | 110.9° | 109.5° |
| F3 | C11 | F1 | 109.4° | 109.5° |
| F3 | C11 | F2 | 108.3° | 109.5° |
| C13 | C14 | C15 | 104.9° | 107.0° |
| C14 | C13 | C12 | 133.0° | 134.0° |
| C14 | C13 | C17 | 111.0° | 106.1° |
| C13 | C14 | H12 | 127.6° | 126.5° |
| C14 | C15 | N3 | 108.2° | 109.9° |
| C14 | C15 | H3 | 125.9° | 125.0° |
| C15 | C14 | H12 | 127.6° | 126.5° |
| C13 | C12 | C20 | 120.5° | 119.7° |
| C12 | C13 | C17 | 116.0° | 120.0° |
| C12 | C20 | C19 | 120.9° | 120.5° |
| C12 | C20 | H15 | 119.5° | 119.7° |
| N | C10 | C11 | 113.4° | 109.5° |
| C10 | N | CA | 112.2° | 120.0° |
| N | C10 | H1 | 108.5° | 109.5° |
| N | C10 | H2 | 108.5° | 109.5° |
| C10 | C11 | F1 | 113.0° | 109.4° |
| C10 | C11 | F2 | 110.2° | 109.5° |
| C11 | C10 | H1 | 108.5° | 109.5° |
| C11 | C10 | H2 | 108.5° | 109.5° |
| C13 | C17 | N3 | 104.0° | 107.1° |
| C13 | C17 | C18 | 126.4° | 119.3° |
| N | CA | CB | 118.0° | 120.0° |
| N | CA | C8 | 120.9° | 120.0° |
| C20 | C19 | C18 | 121.3° | 120.7° |
| C20 | C19 | H14 | 119.4° | 119.7° |
| C19 | C20 | H15 | 119.5° | 119.7° |
| F1 | C11 | F2 | 104.8° | 109.4° |
| C15 | N3 | C17 | 112.0° | 109.9° |
| C15 | N3 | C16 | 126.5° | 125.1° |
| N3 | C15 | H3 | 125.9° | 125.1° |
| N3 | C17 | C18 | 129.7° | 133.6° |
| C17 | N3 | C16 | 121.5° | 125.0° |
| C17 | C18 | C19 | 115.0° | 119.8° |
| C17 | C18 | H13 | 122.5° | 120.1° |
| N3 | C16 | H4 | 109.5° | 109.5° |
| N3 | C16 | H5 | 109.5° | 109.5° |
| N3 | C16 | H6 | 109.4° | 109.4° |
| C19 | C18 | H13 | 122.5° | 120.1° |
| C18 | C19 | H14 | 119.4° | 119.7° |
| CA | CB | CG | 118.8° | 120.2° |
| CB | CA | C8 | 121.0° | 120.0° |
| CA | CB | H16 | 120.6° | 119.9° |
| CB | CG | CD2 | 120.4° | 118.9° |
| CB | CG | CD1 | 121.2° | 119.6° |
| CG | CB | H16 | 120.6° | 119.9° |
| CA | C8 | CE1 | 119.7° | 119.8° |
| CA | C8 | H11 | 120.2° | 120.1° |
| CG | CD2 | CE2 | 102.9° | 110.5° |
| CD2 | CG | CD1 | 118.4° | 121.5° |
| CG | CD2 | H17 | 111.1° | 109.2° |
| CG | CD2 | H18 | 111.1° | 109.2° |
| CD2 | CE2 | C25 | 110.8° | 109.0° |
| CE2 | CD2 | H17 | 111.1° | 109.3° |
| CE2 | CD2 | H18 | 111.1° | 109.3° |
| CD2 | CE2 | H19 | 109.2° | 109.6° |
| CD2 | CE2 | H20 | 109.1° | 109.6° |
| CG | CD1 | CE1 | 119.7° | 120.2° |
| CG | CD1 | N1 | 116.8° | 120.8° |
| C8 | CE1 | CD1 | 119.7° | 120.2° |
| C8 | CE1 | H10 | 120.2° | 119.9° |
| CE1 | C8 | H11 | 120.2° | 120.1° |
| CE2 | C25 | N1 | 112.9° | 108.0° |
| C25 | CE2 | H19 | 109.1° | 109.6° |
| C25 | CE2 | H20 | 109.2° | 109.4° |
| CE2 | C25 | H21 | 108.6° | 109.8° |
| CE2 | C25 | H22 | 108.6° | 109.8° |
| CE1 | CD1 | N1 | 123.5° | 119.1° |
| CD1 | CE1 | H10 | 120.1° | 119.9° |
| CD1 | N1 | C25 | 116.8° | 118.9° |
| CD1 | N1 | C1 | 125.3° | 120.6° |
| C25 | N1 | C1 | 117.9° | 120.6° |
| N1 | C25 | H21 | 108.6° | 109.9° |
| N1 | C25 | H22 | 108.6° | 109.5° |
| N1 | C1 | C2 | 116.7° | 120.0° |
| N1 | C1 | OH | 123.0° | 120.0° |
| C2 | C5 | C4 | 112.2° | 113.3° |
| C5 | C2 | C1 | 132.5° | 125.5° |
| C5 | C2 | S1 | 112.7° | 109.1° |
| C2 | C5 | H9 | 123.9° | 123.3° |
| C5 | C4 | C3 | 111.4° | 115.1° |
| C5 | C4 | H8 | 124.3° | 122.5° |
| C4 | C5 | H9 | 123.9° | 123.3° |
| C2 | C1 | OH | 119.2° | 119.9° |
| C1 | C2 | S1 | 114.8° | 125.5° |
| C2 | S1 | C3 | 90.7° | 91.6° |
| C4 | C3 | S1 | 113.0° | 111.0° |
| C4 | C3 | H7 | 123.5° | 124.6° |
| C3 | C4 | H8 | 124.3° | 122.4° |
| S1 | C3 | H7 | 123.5° | 124.5° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H4 | C16 | H5 | 109.4° | 109.5° |
| H4 | C16 | H6 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H17 | CD2 | H18 | 109.5° | 109.2° |
| H19 | CE2 | H20 | 109.5° | 109.7° |
| H21 | C25 | H22 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | S2 | O | C12 | 122.9° | 122.9° |
| O3 | S2 | O | N | 133.9° | 123.0° |
| O3 | S2 | C12 | N | 115.8° | 113.5° |
| O3 | S2 | C12 | C13 | 34.0° | 177.7° |
| O3 | S2 | C12 | C20 | 151.1° | 2.6° |
| O3 | S2 | N | C10 | 69.4° | 135.0° |
| O3 | S2 | N | CA | 152.2° | 45.0° |
| O | S2 | C12 | N | 113.1° | 113.6° |
| O | S2 | C12 | C13 | 165.0° | 49.4° |
| O | S2 | C12 | C20 | 20.0° | 130.3° |
| O | S2 | N | C10 | 69.1° | 2.1° |
| O | S2 | N | CA | 69.2° | 177.9° |
| S2 | C12 | C13 | C14 | 3.4° | 0.2° |
| S2 | C12 | C13 | C20 | 175.1° | 179.7° |
| C12 | S2 | N | C10 | 177.5° | 111.5° |
| S2 | C12 | C13 | C17 | 176.7° | 179.7° |
| C12 | S2 | N | CA | 39.2° | 68.5° |
| S2 | C12 | C20 | C19 | 176.5° | 179.8° |
| S2 | C12 | C20 | H15 | 3.5° | 0.3° |
| N | S2 | C12 | C13 | 81.9° | 64.2° |
| N | S2 | C12 | C20 | 93.1° | 116.1° |
| S2 | N | C10 | CA | 138.3° | 180.0° |
| S2 | N | C10 | C11 | 111.1° | 95.9° |
| S2 | N | CA | CB | 67.6° | 153.3° |
| S2 | N | CA | C8 | 109.0° | 26.7° |
| S2 | N | C10 | H1 | 128.3° | 144.1° |
| S2 | N | C10 | H2 | 9.5° | 24.1° |
| F3 | C11 | C10 | N | 114.1° | 55.0° |
| F3 | C11 | C10 | F1 | 123.2° | 120.0° |
| F3 | C11 | C10 | F2 | 119.9° | 120.0° |
| F3 | C11 | F1 | F2 | 115.9° | 120.0° |
| F3 | C11 | C10 | H1 | 125.3° | 175.0° |
| F3 | C11 | C10 | H2 | 6.4° | 65.1° |
| C13 | C14 | C15 | H12 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 179.9° | 179.9° |
| C14 | C13 | C12 | C20 | 178.5° | 179.9° |
| C13 | C14 | C15 | N3 | 0.1° | 0.0° |
| C14 | C13 | C17 | N3 | 0.5° | 0.1° |
| C14 | C13 | C17 | C18 | 179.4° | 180.0° |
| C13 | C14 | C15 | H3 | 179.9° | 179.9° |
| C15 | C14 | C13 | C12 | 179.6° | 180.0° |
| C15 | C14 | C13 | C17 | 0.2° | 0.0° |
| C14 | C15 | N3 | H3 | 180.0° | 179.9° |
| C14 | C15 | N3 | C17 | 0.5° | 0.0° |
| C14 | C15 | N3 | C16 | 179.7° | 180.0° |
| C13 | C12 | C20 | C19 | 1.7° | 0.1° |
| C12 | C13 | C17 | N3 | 179.4° | 180.0° |
| C12 | C13 | C17 | C18 | 0.7° | 0.1° |
| C12 | C13 | C14 | H12 | 0.4° | 0.1° |
| C13 | C12 | C20 | H15 | 178.3° | 180.0° |
| C20 | C12 | C13 | C17 | 1.7° | 0.0° |
| C12 | C20 | C19 | H15 | 180.0° | 179.9° |
| C12 | C20 | C19 | C18 | 0.6° | 0.1° |
| C12 | C20 | C19 | H14 | 179.4° | 179.9° |
| N | C10 | C11 | H1 | 120.6° | 120.0° |
| N | C10 | C11 | H2 | 120.6° | 120.0° |
| N | C10 | C11 | F1 | 9.1° | 65.1° |
| N | C10 | C11 | F2 | 126.0° | 175.0° |
| C10 | N | CA | CB | 75.3° | 26.7° |
| C10 | N | CA | C8 | 108.2° | 153.3° |
| N | C10 | H1 | H2 | 118.2° | 120.0° |
| C11 | C10 | N | CA | 110.6° | 84.1° |
| C10 | C11 | F1 | F2 | 120.0° | 120.0° |
| C11 | C10 | H1 | H2 | 118.2° | 120.0° |
| C13 | C17 | N3 | C15 | 0.6° | 0.0° |
| C13 | C17 | N3 | C18 | 179.9° | 179.9° |
| C13 | C17 | N3 | C16 | 179.6° | 180.0° |
| C13 | C17 | C18 | C19 | 0.3° | 0.1° |
| C17 | C13 | C14 | H12 | 179.8° | 180.0° |
| C13 | C17 | C18 | H13 | 179.7° | 180.0° |
| N | CA | CB | C8 | 176.6° | 180.0° |
| N | CA | CB | CG | 177.1° | 180.0° |
| N | CA | C8 | CE1 | 176.3° | 179.9° |
| CA | N | C10 | H1 | 10.0° | 35.9° |
| CA | N | C10 | H2 | 128.8° | 155.9° |
| N | CA | C8 | H11 | 3.6° | 0.1° |
| N | CA | CB | H16 | 2.9° | 0.0° |
| C20 | C19 | C18 | C17 | 0.4° | 0.0° |
| C20 | C19 | C18 | H14 | 180.0° | 180.0° |
| C20 | C19 | C18 | H13 | 179.6° | 180.0° |
| F1 | C11 | C10 | H1 | 111.5° | 55.0° |
| F1 | C11 | C10 | H2 | 129.7° | 174.9° |
| F2 | C11 | C10 | H1 | 5.4° | 65.0° |
| F2 | C11 | C10 | H2 | 113.5° | 55.0° |
| C15 | N3 | C17 | C16 | 179.9° | 180.0° |
| C15 | N3 | C17 | C18 | 179.3° | 180.0° |
| C15 | N3 | C16 | H4 | 180.0° | 90.0° |
| C15 | N3 | C16 | H5 | 60.0° | 150.0° |
| C15 | N3 | C16 | H6 | 60.0° | 30.0° |
| N3 | C15 | C14 | H12 | 179.9° | 180.0° |
| N3 | C17 | C18 | C19 | 179.6° | 180.0° |
| C17 | N3 | C15 | H3 | 179.5° | 179.9° |
| C17 | N3 | C16 | H4 | 0.2° | 90.0° |
| C17 | N3 | C16 | H5 | 119.8° | 30.0° |
| C17 | N3 | C16 | H6 | 120.2° | 150.0° |
| N3 | C17 | C18 | H13 | 0.4° | 0.0° |
| C18 | C17 | N3 | C16 | 0.5° | 0.0° |
| C17 | C18 | C19 | H13 | 180.0° | 180.0° |
| C17 | C18 | C19 | H14 | 179.6° | 180.0° |
| C16 | N3 | C15 | H3 | 0.3° | 0.1° |
| N3 | C16 | H4 | H5 | 120.0° | 120.0° |
| N3 | C16 | H4 | H6 | 120.0° | 119.9° |
| N3 | C16 | H5 | H6 | 120.0° | 120.0° |
| C18 | C19 | C20 | H15 | 179.4° | 180.0° |
| CA | CB | CG | H16 | 180.0° | 180.0° |
| CA | CB | CG | CD2 | 179.3° | 179.5° |
| CA | CB | CG | CD1 | 0.5° | 0.1° |
| CB | CA | C8 | CE1 | 0.1° | 0.1° |
| CB | CA | C8 | H11 | 179.9° | 179.9° |
| CG | CB | CA | C8 | 0.5° | 0.0° |
| CB | CG | CD2 | CD1 | 178.9° | 179.7° |
| CB | CG | CD2 | CE2 | 129.2° | 159.4° |
| CB | CG | CD1 | CE1 | 0.1° | 0.2° |
| CB | CG | CD1 | N1 | 179.9° | 179.6° |
| CB | CG | CD2 | H17 | 10.3° | 80.3° |
| CB | CG | CD2 | H18 | 111.8° | 39.2° |
| CA | C8 | CE1 | H11 | 180.0° | 180.0° |
| CA | C8 | CE1 | CD1 | 0.7° | 0.1° |
| CA | C8 | CE1 | H10 | 179.3° | 179.9° |
| C8 | CA | CB | H16 | 179.5° | 180.0° |
| CG | CD2 | CE2 | H17 | 119.0° | 120.3° |
| CG | CD2 | CE2 | H18 | 118.9° | 120.3° |
| CG | CD2 | CE2 | C25 | 64.3° | 51.4° |
| CD2 | CG | CD1 | CE1 | 178.8° | 179.5° |
| CD2 | CG | CD1 | N1 | 1.2° | 0.7° |
| CD2 | CG | CB | H16 | 0.6° | 0.5° |
| CG | CD2 | H17 | H18 | 123.0° | 119.4° |
| CG | CD2 | CE2 | H19 | 55.9° | 171.3° |
| CG | CD2 | CE2 | H20 | 175.5° | 68.3° |
| CE2 | CD2 | CG | CD1 | 49.7° | 20.9° |
| CD2 | CE2 | C25 | H19 | 120.2° | 119.9° |
| CD2 | CE2 | C25 | H20 | 120.2° | 119.8° |
| CD2 | CE2 | C25 | N1 | 30.7° | 63.0° |
| CE2 | CD2 | H17 | H18 | 123.0° | 119.5° |
| CD2 | CE2 | H19 | H20 | 119.4° | 120.3° |
| CD2 | CE2 | C25 | H21 | 151.2° | 177.2° |
| CD2 | CE2 | C25 | H22 | 89.8° | 56.3° |
| CG | CD1 | CE1 | C8 | 0.7° | 0.1° |
| CG | CD1 | CE1 | N1 | 180.0° | 179.8° |
| CG | CD1 | N1 | C25 | 41.1° | 13.4° |
| CG | CD1 | N1 | C1 | 142.0° | 166.4° |
| CG | CD1 | CE1 | H10 | 179.3° | 179.9° |
| CD1 | CG | CB | H16 | 179.5° | 179.9° |
| CD1 | CG | CD2 | H17 | 168.6° | 99.4° |
| CD1 | CG | CD2 | H18 | 69.3° | 141.2° |
| C8 | CE1 | CD1 | H10 | 180.0° | 180.0° |
| C8 | CE1 | CD1 | N1 | 179.3° | 179.7° |
| CE2 | C25 | N1 | CD1 | 22.9° | 44.4° |
| CE2 | C25 | N1 | H21 | 120.5° | 119.7° |
| CE2 | C25 | N1 | H22 | 120.5° | 119.5° |
| CE2 | C25 | N1 | C1 | 159.9° | 135.4° |
| C25 | CE2 | CD2 | H17 | 176.8° | 68.9° |
| C25 | CE2 | CD2 | H18 | 54.7° | 171.7° |
| C25 | CE2 | H19 | H20 | 119.4° | 120.2° |
| CE2 | C25 | H21 | H22 | 118.5° | 120.8° |
| CE1 | CD1 | N1 | C25 | 138.9° | 166.8° |
| CE1 | CD1 | N1 | C1 | 38.0° | 13.4° |
| CD1 | CE1 | C8 | H11 | 179.3° | 179.9° |
| CD1 | N1 | C25 | C1 | 177.2° | 179.8° |
| CD1 | N1 | C1 | C2 | 34.0° | 177.4° |
| CD1 | N1 | C1 | OH | 158.0° | 2.7° |
| N1 | CD1 | CE1 | H10 | 0.7° | 0.3° |
| CD1 | N1 | C25 | H21 | 97.6° | 164.1° |
| CD1 | N1 | C25 | H22 | 143.5° | 75.1° |
| C25 | N1 | C1 | C2 | 149.1° | 2.4° |
| C25 | N1 | C1 | OH | 19.0° | 177.5° |
| N1 | C25 | CE2 | H19 | 89.5° | 177.1° |
| N1 | C25 | CE2 | H20 | 150.9° | 56.8° |
| N1 | C25 | H21 | H22 | 118.4° | 120.6° |
| N1 | C1 | C2 | C5 | 15.3° | 150.2° |
| N1 | C1 | C2 | OH | 168.5° | 179.9° |
| N1 | C1 | C2 | S1 | 166.1° | 29.4° |
| C1 | N1 | C25 | H21 | 79.6° | 15.7° |
| C1 | N1 | C25 | H22 | 39.4° | 105.1° |
| C2 | C5 | C4 | H9 | 180.0° | 179.9° |
| C5 | C2 | C1 | S1 | 178.6° | 179.6° |
| C5 | C2 | C1 | OH | 153.2° | 29.8° |
| C2 | C5 | C4 | C3 | 0.6° | 0.4° |
| C5 | C2 | S1 | C3 | 1.0° | 0.2° |
| C2 | C5 | C4 | H8 | 179.4° | 179.8° |
| C4 | C5 | C2 | C1 | 179.7° | 179.9° |
| C4 | C5 | C2 | S1 | 1.1° | 0.4° |
| C5 | C4 | C3 | H8 | 180.0° | 179.8° |
| C5 | C4 | C3 | S1 | 0.1° | 0.2° |
| C5 | C4 | C3 | H7 | 179.9° | 179.8° |
| C1 | C2 | S1 | C3 | 179.8° | 179.9° |
| C1 | C2 | C5 | H9 | 0.3° | 0.0° |
| OH | C1 | C2 | S1 | 25.4° | 150.6° |
| C2 | S1 | C3 | C4 | 0.6° | 0.0° |
| C2 | S1 | C3 | H7 | 179.4° | 180.0° |
| S1 | C2 | C5 | H9 | 178.9° | 179.7° |
| C4 | C3 | S1 | H7 | 180.0° | 180.0° |
| C3 | C4 | C5 | H9 | 179.4° | 179.7° |
| S1 | C3 | C4 | H8 | 179.9° | 180.0° |
| H3 | C15 | C14 | H12 | 0.1° | 0.1° |
| H4 | C16 | H5 | H6 | 120.0° | 120.0° |
| H7 | C3 | C4 | H8 | 0.1° | 0.0° |
| H8 | C4 | C5 | H9 | 0.6° | 0.1° |
| H10 | CE1 | C8 | H11 | 0.7° | 0.1° |
| H13 | C18 | C19 | H14 | 0.4° | 0.1° |
| H14 | C19 | C20 | H15 | 0.6° | 0.0° |
| H17 | CD2 | CE2 | H19 | 63.0° | 51.1° |
| H17 | CD2 | CE2 | H20 | 56.6° | 171.4° |
| H18 | CD2 | CE2 | H19 | 174.9° | 68.4° |
| H18 | CD2 | CE2 | H20 | 65.5° | 51.9° |
| H19 | CE2 | C25 | H21 | 31.0° | 57.3° |
| H19 | CE2 | C25 | H22 | 150.0° | 63.6° |
| H20 | CE2 | C25 | H21 | 88.6° | 63.0° |
| H20 | CE2 | C25 | H22 | 30.4° | 176.1° |
