3KR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | C2 | sing | 1.76Å | 1.70Å | |
| S1 | C8 | sing | 1.81Å | 1.74Å | |
| S1 | O12 | doub | 1.42Å | 1.69Å | |
| S1 | O13 | doub | 1.42Å | 1.70Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | O24 | sing | 1.36Å | 1.34Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C15 | sing | 1.53Å | 1.54Å | |
| C8 | C19 | sing | 1.53Å | 1.54Å | |
| C9 | N10 | sing | 1.35Å | 1.35Å | |
| C9 | O14 | doub | 1.21Å | 1.23Å | |
| N10 | O11 | doub | 1.22Å | 1.22Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | N17 | sing | 1.47Å | 1.50Å | |
| N17 | C18 | sing | 1.47Å | 1.49Å | |
| N17 | C20 | sing | 1.47Å | 1.49Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | O22 | sing | 1.43Å | 1.44Å | |
| O22 | C23 | sing | 1.43Å | 1.43Å | |
| O24 | C25 | sing | 1.36Å | 1.33Å | |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | O31 | sing | 1.36Å | 1.32Å | |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| O31 | C32 | sing | 1.43Å | 1.43Å | |
| C32 | F33 | sing | 1.40Å | 1.34Å | |
| C32 | F34 | sing | 1.40Å | 1.35Å | |
| C32 | F35 | sing | 1.40Å | 1.35Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | S1 | C8 | 110.0° | 104.4° |
| C2 | S1 | O12 | 108.5° | 104.3° |
| C2 | S1 | O13 | 106.4° | 104.3° |
| S1 | C2 | C3 | 119.2° | 119.9° |
| S1 | C2 | C7 | 120.4° | 119.9° |
| C8 | S1 | O12 | 109.0° | 110.5° |
| C8 | S1 | O13 | 113.5° | 110.5° |
| S1 | C8 | C9 | 110.3° | 109.5° |
| S1 | C8 | C15 | 107.6° | 109.5° |
| S1 | C8 | C19 | 111.5° | 109.5° |
| O12 | S1 | O13 | 109.3° | 121.0° |
| C3 | C2 | C7 | 120.3° | 120.1° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C2 | C3 | H3 | 119.9° | 119.9° |
| C2 | C7 | C6 | 119.3° | 120.1° |
| C2 | C7 | H7 | 120.3° | 120.0° |
| C3 | C4 | C5 | 119.4° | 120.0° |
| C4 | C3 | H3 | 119.9° | 120.1° |
| C3 | C4 | H4 | 120.3° | 120.0° |
| C4 | C5 | C6 | 119.8° | 119.9° |
| C4 | C5 | O24 | 122.0° | 120.0° |
| C5 | C4 | H4 | 120.3° | 120.0° |
| C6 | C5 | O24 | 118.2° | 120.1° |
| C5 | C6 | C7 | 120.9° | 119.9° |
| C5 | C6 | H6 | 119.6° | 120.0° |
| C5 | O24 | C25 | 128.5° | 118.0° |
| C7 | C6 | H6 | 119.5° | 120.0° |
| C6 | C7 | H7 | 120.4° | 120.0° |
| C9 | C8 | C15 | 109.7° | 109.5° |
| C9 | C8 | C19 | 108.6° | 109.6° |
| C8 | C9 | N10 | 122.3° | 120.0° |
| C8 | C9 | O14 | 120.3° | 120.0° |
| C15 | C8 | C19 | 109.1° | 109.2° |
| C8 | C15 | C16 | 115.2° | 109.3° |
| C8 | C15 | H15 | 107.6° | 109.5° |
| C8 | C15 | H15A | 107.6° | 109.5° |
| C8 | C19 | C18 | 115.1° | 109.3° |
| C8 | C19 | H19 | 107.6° | 109.5° |
| C8 | C19 | H19A | 107.6° | 109.5° |
| N10 | C9 | O14 | 117.4° | 120.0° |
| C9 | N10 | O11 | 119.8° | 120.0° |
| C15 | C16 | N17 | 109.9° | 109.5° |
| C16 | C15 | H15 | 107.6° | 109.5° |
| C16 | C15 | H15A | 107.6° | 109.5° |
| C15 | C16 | H16 | 109.3° | 109.4° |
| C15 | C16 | H16A | 109.3° | 109.5° |
| C16 | N17 | C18 | 115.7° | 111.2° |
| C16 | N17 | C20 | 121.3° | 111.0° |
| N17 | C16 | H16 | 109.3° | 109.4° |
| N17 | C16 | H16A | 109.3° | 109.4° |
| C18 | N17 | C20 | 122.8° | 111.0° |
| N17 | C18 | C19 | 106.9° | 109.6° |
| N17 | C18 | H18 | 110.3° | 109.4° |
| N17 | C18 | H18A | 110.4° | 109.5° |
| N17 | C20 | C21 | 111.5° | 109.5° |
| N17 | C20 | H20 | 108.8° | 109.5° |
| N17 | C20 | H20A | 108.8° | 109.5° |
| C19 | C18 | H18 | 110.3° | 109.5° |
| C19 | C18 | H18A | 110.3° | 109.4° |
| C18 | C19 | H19 | 107.6° | 109.6° |
| C18 | C19 | H19A | 107.6° | 109.5° |
| C20 | C21 | O22 | 111.9° | 109.4° |
| C21 | C20 | H20 | 108.8° | 109.5° |
| C21 | C20 | H20A | 108.8° | 109.4° |
| C20 | C21 | H21 | 108.7° | 109.4° |
| C20 | C21 | H21A | 108.6° | 109.5° |
| C21 | O22 | C23 | 110.7° | 113.9° |
| O22 | C21 | H21 | 108.7° | 109.5° |
| O22 | C21 | H21A | 108.7° | 109.5° |
| O22 | C23 | H23 | 109.5° | 109.4° |
| O22 | C23 | H23A | 109.5° | 109.5° |
| O22 | C23 | H23B | 109.5° | 109.5° |
| O24 | C25 | C26 | 120.4° | 120.0° |
| O24 | C25 | C30 | 118.2° | 120.0° |
| C26 | C25 | C30 | 121.4° | 120.0° |
| C25 | C26 | C27 | 119.3° | 120.0° |
| C25 | C26 | H26 | 120.4° | 120.0° |
| C25 | C30 | C29 | 119.3° | 120.0° |
| C25 | C30 | H30 | 120.4° | 120.0° |
| C26 | C27 | C28 | 118.9° | 120.0° |
| C27 | C26 | H26 | 120.4° | 120.0° |
| C26 | C27 | H27 | 120.6° | 119.9° |
| C27 | C28 | C29 | 121.8° | 120.0° |
| C27 | C28 | O31 | 119.0° | 120.0° |
| C28 | C27 | H27 | 120.6° | 120.1° |
| C29 | C28 | O31 | 119.2° | 120.0° |
| C28 | C29 | C30 | 119.4° | 120.0° |
| C28 | C29 | H29 | 120.3° | 120.0° |
| C28 | O31 | C32 | 126.1° | 117.0° |
| C30 | C29 | H29 | 120.3° | 120.0° |
| C29 | C30 | H30 | 120.4° | 120.0° |
| O31 | C32 | F33 | 105.5° | 109.5° |
| O31 | C32 | F34 | 111.1° | 109.5° |
| O31 | C32 | F35 | 111.6° | 109.5° |
| F33 | C32 | F34 | 111.1° | 109.5° |
| F33 | C32 | F35 | 109.7° | 109.4° |
| F34 | C32 | F35 | 107.8° | 109.4° |
| H15 | C15 | H15A | 111.3° | 109.6° |
| H16 | C16 | H16A | 109.6° | 109.5° |
| H18 | C18 | H18A | 108.6° | 109.5° |
| H19 | C19 | H19A | 111.2° | 109.5° |
| H20 | C20 | H20A | 110.1° | 109.5° |
| H21 | C21 | H21A | 110.3° | 109.5° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H23 | C23 | H23B | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | S1 | C8 | O12 | 118.8° | 111.6° |
| C2 | S1 | C8 | O13 | 119.1° | 111.7° |
| C2 | S1 | O12 | O13 | 115.6° | 116.8° |
| S1 | C2 | C3 | C7 | 179.0° | 179.6° |
| S1 | C2 | C3 | C4 | 179.6° | 180.0° |
| S1 | C2 | C7 | C6 | 179.0° | 179.8° |
| C2 | S1 | C8 | C9 | 29.6° | 65.3° |
| C2 | S1 | C8 | C15 | 90.1° | 54.9° |
| C2 | S1 | C8 | C19 | 150.3° | 174.6° |
| S1 | C2 | C3 | H3 | 0.4° | 0.1° |
| S1 | C2 | C7 | H7 | 0.9° | 0.2° |
| C8 | S1 | O12 | O13 | 124.7° | 131.5° |
| C8 | S1 | C2 | C3 | 95.4° | 90.0° |
| C8 | S1 | C2 | C7 | 83.5° | 90.4° |
| S1 | C8 | C9 | C15 | 118.3° | 120.1° |
| S1 | C8 | C9 | C19 | 122.5° | 120.1° |
| S1 | C8 | C15 | C19 | 121.1° | 119.9° |
| S1 | C8 | C9 | N10 | 76.0° | 45.0° |
| S1 | C8 | C9 | O14 | 105.2° | 134.9° |
| S1 | C8 | C15 | C16 | 168.4° | 62.2° |
| S1 | C8 | C19 | C18 | 170.2° | 62.3° |
| S1 | C8 | C15 | H15 | 71.6° | 177.8° |
| S1 | C8 | C15 | H15A | 48.4° | 57.7° |
| S1 | C8 | C19 | H19 | 50.2° | 57.7° |
| S1 | C8 | C19 | H19A | 69.8° | 177.8° |
| O12 | S1 | C2 | C3 | 145.4° | 153.9° |
| O12 | S1 | C2 | C7 | 35.7° | 25.7° |
| O12 | S1 | C8 | C9 | 89.3° | 176.9° |
| O12 | S1 | C8 | C15 | 151.1° | 56.8° |
| O12 | S1 | C8 | C19 | 31.5° | 62.9° |
| O13 | S1 | C2 | C3 | 27.9° | 26.0° |
| O13 | S1 | C2 | C7 | 153.1° | 153.6° |
| O13 | S1 | C8 | C9 | 148.6° | 46.4° |
| O13 | S1 | C8 | C15 | 29.0° | 166.5° |
| O13 | S1 | C8 | C19 | 90.6° | 73.8° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C3 | C2 | C7 | C6 | 0.1° | 0.6° |
| C2 | C3 | C4 | H4 | 179.1° | 179.9° |
| C3 | C2 | C7 | H7 | 179.9° | 179.8° |
| C7 | C2 | C3 | C4 | 0.6° | 0.3° |
| C2 | C7 | C6 | C5 | 0.2° | 0.6° |
| C2 | C7 | C6 | H7 | 180.0° | 179.6° |
| C7 | C2 | C3 | H3 | 179.4° | 179.7° |
| C2 | C7 | C6 | H6 | 179.8° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C3 | C4 | C5 | O24 | 178.9° | 180.0° |
| C4 | C5 | C6 | O24 | 179.5° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.3° |
| C4 | C5 | O24 | C25 | 1.0° | 5.6° |
| C5 | C4 | C3 | H3 | 179.1° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C6 | C5 | O24 | C25 | 178.5° | 174.5° |
| C6 | C5 | C4 | H4 | 179.4° | 179.9° |
| C5 | C6 | C7 | H7 | 179.8° | 179.8° |
| O24 | C5 | C6 | C7 | 179.4° | 179.7° |
| C5 | O24 | C25 | C26 | 60.9° | 75.7° |
| C5 | O24 | C25 | C30 | 118.3° | 104.7° |
| O24 | C5 | C4 | H4 | 1.1° | 0.0° |
| O24 | C5 | C6 | H6 | 0.6° | 0.0° |
| C9 | C8 | C15 | C19 | 118.9° | 120.0° |
| C8 | C9 | N10 | O14 | 178.9° | 179.9° |
| C8 | C9 | N10 | O11 | 166.9° | 180.0° |
| C9 | C8 | C15 | C16 | 71.6° | 177.6° |
| C9 | C8 | C19 | C18 | 68.0° | 177.5° |
| C9 | C8 | C15 | H15 | 48.4° | 57.7° |
| C9 | C8 | C15 | H15A | 168.4° | 62.4° |
| C9 | C8 | C19 | H19 | 172.0° | 62.4° |
| C9 | C8 | C19 | H19A | 52.0° | 57.7° |
| C15 | C8 | C9 | N10 | 165.7° | 165.1° |
| C15 | C8 | C9 | O14 | 13.2° | 14.8° |
| C8 | C15 | C16 | H15 | 120.0° | 119.9° |
| C8 | C15 | C16 | H15A | 120.0° | 119.9° |
| C8 | C15 | C16 | N17 | 49.3° | 59.2° |
| C15 | C8 | C19 | C18 | 51.5° | 57.6° |
| C8 | C15 | H15 | H15A | 117.7° | 120.0° |
| C8 | C15 | C16 | H16 | 70.7° | 179.2° |
| C8 | C15 | C16 | H16A | 169.3° | 60.8° |
| C15 | C8 | C19 | H19 | 68.5° | 177.6° |
| C15 | C8 | C19 | H19A | 171.5° | 62.3° |
| C19 | C8 | C9 | N10 | 46.5° | 75.1° |
| C19 | C8 | C9 | O14 | 132.3° | 104.9° |
| C19 | C8 | C15 | C16 | 47.3° | 57.7° |
| C8 | C19 | C18 | N17 | 56.1° | 59.1° |
| C8 | C19 | C18 | H19 | 120.0° | 120.0° |
| C8 | C19 | C18 | H19A | 120.0° | 119.9° |
| C19 | C8 | C15 | H15 | 167.3° | 62.3° |
| C19 | C8 | C15 | H15A | 72.7° | 177.6° |
| C8 | C19 | C18 | H18 | 63.9° | 179.1° |
| C8 | C19 | C18 | H18A | 176.2° | 60.9° |
| C8 | C19 | H19 | H19A | 117.7° | 120.1° |
| O14 | C9 | N10 | O11 | 12.0° | 0.1° |
| C15 | C16 | N17 | H16 | 120.0° | 120.0° |
| C15 | C16 | N17 | H16A | 120.0° | 120.0° |
| C15 | C16 | N17 | C18 | 56.0° | 61.8° |
| C15 | C16 | N17 | C20 | 118.9° | 174.2° |
| C16 | C15 | H15 | H15A | 117.6° | 120.1° |
| C15 | C16 | H16 | H16A | 119.8° | 120.0° |
| C16 | N17 | C18 | C20 | 174.8° | 124.1° |
| C16 | N17 | C18 | C19 | 58.5° | 61.7° |
| C16 | N17 | C20 | C21 | 103.1° | 170.0° |
| N17 | C16 | C15 | H15 | 169.3° | 60.7° |
| N17 | C16 | C15 | H15A | 70.7° | 179.1° |
| N17 | C16 | H16 | H16A | 119.8° | 120.0° |
| C16 | N17 | C18 | H18 | 61.5° | 178.2° |
| C16 | N17 | C18 | H18A | 178.5° | 58.3° |
| C16 | N17 | C20 | H20 | 136.9° | 50.0° |
| C16 | N17 | C20 | H20A | 16.9° | 70.0° |
| N17 | C18 | C19 | H18 | 120.0° | 120.0° |
| N17 | C18 | C19 | H18A | 120.0° | 120.0° |
| C18 | N17 | C20 | C21 | 71.4° | 65.8° |
| C18 | N17 | C16 | H16 | 64.0° | 178.3° |
| C18 | N17 | C16 | H16A | 176.0° | 58.2° |
| N17 | C18 | H18 | H18A | 121.1° | 119.9° |
| N17 | C18 | C19 | H19 | 63.9° | 179.1° |
| N17 | C18 | C19 | H19A | 176.1° | 60.8° |
| C18 | N17 | C20 | H20 | 48.6° | 174.2° |
| C18 | N17 | C20 | H20A | 168.6° | 54.2° |
| C20 | N17 | C18 | C19 | 116.3° | 174.2° |
| N17 | C20 | C21 | H20 | 120.0° | 120.0° |
| N17 | C20 | C21 | H20A | 120.0° | 120.0° |
| N17 | C20 | C21 | O22 | 79.1° | 65.0° |
| C20 | N17 | C16 | H16 | 121.1° | 54.2° |
| C20 | N17 | C16 | H16A | 1.1° | 65.8° |
| C20 | N17 | C18 | H18 | 123.7° | 54.1° |
| C20 | N17 | C18 | H18A | 3.7° | 65.8° |
| N17 | C20 | H20 | H20A | 119.1° | 120.0° |
| N17 | C20 | C21 | H21 | 40.9° | 175.0° |
| N17 | C20 | C21 | H21A | 160.9° | 55.0° |
| C19 | C18 | H18 | H18A | 121.0° | 120.0° |
| C18 | C19 | H19 | H19A | 117.7° | 120.1° |
| C20 | C21 | O22 | H21 | 120.0° | 119.9° |
| C20 | C21 | O22 | H21A | 120.0° | 120.0° |
| C20 | C21 | O22 | C23 | 159.7° | 180.0° |
| C21 | C20 | H20 | H20A | 119.2° | 120.0° |
| C20 | C21 | H21 | H21A | 119.0° | 120.0° |
| O22 | C21 | C20 | H20 | 161.0° | 55.0° |
| O22 | C21 | C20 | H20A | 40.9° | 175.0° |
| O22 | C21 | H21 | H21A | 119.0° | 120.1° |
| C21 | O22 | C23 | H23 | 180.0° | 180.0° |
| C21 | O22 | C23 | H23A | 60.0° | 60.0° |
| C21 | O22 | C23 | H23B | 60.0° | 60.0° |
| C23 | O22 | C21 | H21 | 80.3° | 60.1° |
| C23 | O22 | C21 | H21A | 39.7° | 60.0° |
| O22 | C23 | H23 | H23A | 120.0° | 119.9° |
| O22 | C23 | H23 | H23B | 120.0° | 120.0° |
| O22 | C23 | H23A | H23B | 120.0° | 120.0° |
| O24 | C25 | C26 | C30 | 179.2° | 179.6° |
| O24 | C25 | C26 | C27 | 179.7° | 180.0° |
| O24 | C25 | C30 | C29 | 179.9° | 179.7° |
| O24 | C25 | C26 | H26 | 0.3° | 0.1° |
| O24 | C25 | C30 | H30 | 0.1° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.2° | 0.0° |
| C26 | C25 | C30 | C29 | 0.7° | 0.7° |
| C25 | C26 | C27 | H27 | 179.8° | 180.0° |
| C26 | C25 | C30 | H30 | 179.3° | 179.7° |
| C30 | C25 | C26 | C27 | 0.5° | 0.4° |
| C25 | C30 | C29 | C28 | 0.7° | 0.6° |
| C25 | C30 | C29 | H30 | 180.0° | 179.7° |
| C30 | C25 | C26 | H26 | 179.5° | 179.7° |
| C25 | C30 | C29 | H29 | 179.3° | 179.7° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C26 | C27 | C28 | O31 | 179.7° | 180.0° |
| C27 | C28 | C29 | O31 | 179.9° | 179.9° |
| C27 | C28 | C29 | C30 | 0.4° | 0.2° |
| C27 | C28 | O31 | C32 | 101.4° | 180.0° |
| C28 | C27 | C26 | H26 | 179.8° | 179.9° |
| C27 | C28 | C29 | H29 | 179.6° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.7° |
| C29 | C28 | O31 | C32 | 78.6° | 0.1° |
| C29 | C28 | C27 | H27 | 179.8° | 179.9° |
| C28 | C29 | C30 | H30 | 179.3° | 179.7° |
| O31 | C28 | C29 | C30 | 179.5° | 179.7° |
| C28 | O31 | C32 | F33 | 64.2° | 59.9° |
| C28 | O31 | C32 | F34 | 56.4° | 180.0° |
| C28 | O31 | C32 | F35 | 176.8° | 60.1° |
| O31 | C28 | C27 | H27 | 0.2° | 0.0° |
| O31 | C28 | C29 | H29 | 0.5° | 0.0° |
| O31 | C32 | F33 | F34 | 120.6° | 120.0° |
| O31 | C32 | F33 | F35 | 120.3° | 120.0° |
| O31 | C32 | F34 | F35 | 122.6° | 120.0° |
| F33 | C32 | F34 | F35 | 120.2° | 120.0° |
| H3 | C3 | C4 | H4 | 0.9° | 0.0° |
| H6 | C6 | C7 | H7 | 0.2° | 0.1° |
| H15 | C15 | C16 | H16 | 49.3° | 59.3° |
| H15 | C15 | C16 | H16A | 70.7° | 179.3° |
| H15A | C15 | C16 | H16 | 169.3° | 60.9° |
| H15A | C15 | C16 | H16A | 49.3° | 59.1° |
| H18 | C18 | C19 | H19 | 176.1° | 60.9° |
| H18 | C18 | C19 | H19A | 56.1° | 59.2° |
| H18A | C18 | C19 | H19 | 56.2° | 59.1° |
| H18A | C18 | C19 | H19A | 63.8° | 179.2° |
| H20 | C20 | C21 | H21 | 79.0° | 65.0° |
| H20 | C20 | C21 | H21A | 40.9° | 175.0° |
| H20A | C20 | C21 | H21 | 160.9° | 55.0° |
| H20A | C20 | C21 | H21A | 79.1° | 65.0° |
| H23 | C23 | H23A | H23B | 120.0° | 120.1° |
| H26 | C26 | C27 | H27 | 0.2° | 0.1° |
| H29 | C29 | C30 | H30 | 0.7° | 0.0° |
