43B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C4 | sing | 1.51Å | 1.53Å | |
| C8 | HD1 | sing | 1.09Å | 1.12Å | |
| C8 | HD2 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | HE1 | sing | 1.09Å | 1.11Å | |
| C9 | HE2 | sing | 1.09Å | 1.11Å | |
| C10 | S11 | sing | 1.74Å | 1.80Å | Aromatic |
| C10 | N14 | doub | 1.30Å | 1.28Å | Aromatic |
| S11 | C12 | sing | 1.78Å | 1.70Å | Aromatic |
| C12 | C13 | doub | 1.41Å | 1.41Å | Aromatic |
| C12 | C18 | sing | 1.37Å | 1.39Å | Aromatic |
| C13 | N14 | sing | 1.35Å | 1.39Å | Aromatic |
| C13 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | HF | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | C19 | sing | 1.48Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.37Å | 1.39Å | Aromatic |
| C17 | HG | sing | 1.08Å | 1.08Å | |
| C18 | HH | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.40Å | 1.42Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | HI1 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | HJ1 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C25 | sing | 1.48Å | 1.52Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | HJ2 | sing | 1.08Å | 1.08Å | |
| C24 | HI2 | sing | 1.08Å | 1.08Å | |
| C25 | N26 | sing | 1.35Å | 1.33Å | |
| C25 | O29 | doub | 1.22Å | 1.23Å | |
| N26 | S27 | sing | 1.66Å | 1.70Å | |
| N26 | H26 | sing | 0.97Å | 1.02Å | |
| S27 | C28 | sing | 1.76Å | 1.76Å | |
| S27 | O30 | doub | 1.42Å | 1.58Å | |
| S27 | O31 | doub | 1.42Å | 1.59Å | |
| C28 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | HK | sing | 1.08Å | 1.08Å | |
| C33 | C34 | doub | 1.39Å | 1.43Å | Aromatic |
| C33 | N37 | sing | 1.48Å | 1.52Å | |
| C34 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C34 | N40 | sing | 1.40Å | 1.47Å | |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | HL | sing | 1.08Å | 1.08Å | |
| C36 | HM | sing | 1.08Å | 1.08Å | |
| N37 | O38 | sing | 1.22Å | 1.22Å | |
| N37 | O39 | doub | 1.22Å | 1.22Å | |
| N40 | C41 | sing | 1.47Å | 1.47Å | |
| N40 | H40 | sing | 0.97Å | 1.03Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C41 | HN1 | sing | 1.09Å | 1.12Å | |
| C41 | HN2 | sing | 1.09Å | 1.11Å | |
| C42 | S43 | sing | 1.81Å | 1.82Å | |
| C42 | HO1 | sing | 1.09Å | 1.11Å | |
| C42 | HO2 | sing | 1.09Å | 1.10Å | |
| S43 | C44 | sing | 1.76Å | 1.75Å | |
| C44 | C45 | doub | 1.39Å | 1.40Å | Aromatic |
| C44 | C49 | sing | 1.39Å | 1.39Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | HP1 | sing | 1.08Å | 1.07Å | |
| C46 | C47 | doub | 1.38Å | 1.39Å | Aromatic |
| C46 | HQ1 | sing | 1.08Å | 1.08Å | |
| C47 | C48 | sing | 1.38Å | 1.40Å | Aromatic |
| C47 | HR | sing | 1.08Å | 1.08Å | |
| C48 | C49 | doub | 1.38Å | 1.40Å | Aromatic |
| C48 | HQ2 | sing | 1.08Å | 1.08Å | |
| C49 | HP2 | sing | 1.08Å | 1.08Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | HA | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | HB1 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | HC1 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | HC2 | sing | 1.08Å | 1.08Å | |
| C6 | HB2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C4 | 114.0° | 109.5° |
| C9 | C8 | HD1 | 107.9° | 109.5° |
| C9 | C8 | HD2 | 110.5° | 109.5° |
| C8 | C9 | C10 | 113.0° | 109.5° |
| C8 | C9 | HE1 | 108.3° | 109.5° |
| C8 | C9 | HE2 | 111.2° | 109.4° |
| C4 | C8 | HD1 | 108.0° | 109.5° |
| C4 | C8 | HD2 | 110.6° | 109.5° |
| C8 | C4 | C3 | 120.6° | 120.0° |
| C8 | C4 | C5 | 120.1° | 120.0° |
| HD1 | C8 | HD2 | 105.3° | 109.4° |
| C10 | C9 | HE1 | 107.6° | 109.5° |
| C10 | C9 | HE2 | 109.8° | 109.5° |
| C9 | C10 | S11 | 123.3° | 128.3° |
| C9 | C10 | N14 | 121.4° | 128.4° |
| HE1 | C9 | HE2 | 106.6° | 109.5° |
| S11 | C10 | N14 | 115.4° | 103.3° |
| C10 | S11 | C12 | 88.1° | 97.6° |
| C10 | N14 | C13 | 111.0° | 122.5° |
| S11 | C12 | C13 | 111.2° | 102.0° |
| S11 | C12 | C18 | 126.1° | 135.2° |
| C13 | C12 | C18 | 122.7° | 122.7° |
| C12 | C13 | N14 | 114.3° | 114.5° |
| C12 | C13 | C15 | 118.5° | 116.5° |
| C12 | C18 | C17 | 117.7° | 119.8° |
| C12 | C18 | HH | 121.0° | 120.1° |
| N14 | C13 | C15 | 127.2° | 128.9° |
| C13 | C15 | C16 | 120.7° | 120.3° |
| C13 | C15 | HF | 117.4° | 119.9° |
| C16 | C15 | HF | 121.9° | 119.8° |
| C15 | C16 | C17 | 117.3° | 121.2° |
| C15 | C16 | C19 | 122.2° | 119.4° |
| C17 | C16 | C19 | 120.5° | 119.4° |
| C16 | C17 | C18 | 123.1° | 119.4° |
| C16 | C17 | HG | 120.8° | 120.3° |
| C16 | C19 | C20 | 122.5° | 120.0° |
| C16 | C19 | C24 | 120.7° | 119.9° |
| C18 | C17 | HG | 116.2° | 120.3° |
| C17 | C18 | HH | 121.3° | 120.1° |
| C20 | C19 | C24 | 116.8° | 120.1° |
| C19 | C20 | C21 | 121.4° | 120.0° |
| C19 | C20 | HI1 | 121.4° | 120.0° |
| C19 | C24 | C23 | 121.7° | 120.0° |
| C19 | C24 | HI2 | 121.3° | 120.1° |
| C21 | C20 | HI1 | 117.2° | 120.0° |
| C20 | C21 | C22 | 120.8° | 120.0° |
| C20 | C21 | HJ1 | 118.3° | 120.0° |
| C22 | C21 | HJ1 | 120.9° | 120.0° |
| C21 | C22 | C23 | 118.3° | 120.0° |
| C21 | C22 | C25 | 124.9° | 120.0° |
| C23 | C22 | C25 | 116.8° | 120.0° |
| C22 | C23 | C24 | 121.1° | 120.0° |
| C22 | C23 | HJ2 | 120.6° | 120.1° |
| C22 | C25 | N26 | 121.3° | 119.9° |
| C22 | C25 | O29 | 122.0° | 120.0° |
| C24 | C23 | HJ2 | 118.3° | 120.0° |
| C23 | C24 | HI2 | 117.0° | 119.9° |
| N26 | C25 | O29 | 116.7° | 120.1° |
| C25 | N26 | S27 | 123.5° | 120.0° |
| C25 | N26 | H26 | 117.5° | 120.0° |
| S27 | N26 | H26 | 119.0° | 120.0° |
| N26 | S27 | C28 | 113.2° | 107.4° |
| N26 | S27 | O30 | 102.0° | 105.8° |
| N26 | S27 | O31 | 107.6° | 105.8° |
| C28 | S27 | O30 | 111.4° | 105.8° |
| C28 | S27 | O31 | 112.6° | 105.7° |
| S27 | C28 | C32 | 119.5° | 120.0° |
| S27 | C28 | C36 | 119.5° | 119.9° |
| O30 | S27 | O31 | 109.4° | 125.4° |
| C32 | C28 | C36 | 121.0° | 120.1° |
| C28 | C32 | C33 | 120.5° | 120.1° |
| C28 | C32 | HK | 118.3° | 119.9° |
| C28 | C36 | C35 | 119.5° | 120.1° |
| C28 | C36 | HM | 120.4° | 120.0° |
| C33 | C32 | HK | 121.2° | 120.0° |
| C32 | C33 | C34 | 118.6° | 119.9° |
| C32 | C33 | N37 | 116.2° | 120.0° |
| C34 | C33 | N37 | 125.1° | 120.0° |
| C33 | C34 | C35 | 119.3° | 119.9° |
| C33 | C34 | N40 | 121.0° | 120.0° |
| C33 | N37 | O38 | 121.8° | 120.0° |
| C33 | N37 | O39 | 121.7° | 120.0° |
| C35 | C34 | N40 | 119.7° | 120.1° |
| C34 | C35 | C36 | 121.1° | 119.9° |
| C34 | C35 | HL | 121.2° | 120.1° |
| C34 | N40 | C41 | 130.3° | 120.0° |
| C34 | N40 | H40 | 111.0° | 120.0° |
| C36 | C35 | HL | 117.7° | 120.0° |
| C35 | C36 | HM | 120.0° | 119.9° |
| O38 | N37 | O39 | 116.5° | 120.0° |
| C41 | N40 | H40 | 118.7° | 120.0° |
| N40 | C41 | C42 | 110.5° | 109.5° |
| N40 | C41 | HN1 | 110.4° | 109.5° |
| N40 | C41 | HN2 | 110.3° | 109.4° |
| C42 | C41 | HN1 | 108.3° | 109.5° |
| C42 | C41 | HN2 | 111.0° | 109.5° |
| C41 | C42 | S43 | 112.3° | 109.5° |
| C41 | C42 | HO1 | 107.4° | 109.5° |
| C41 | C42 | HO2 | 112.3° | 109.4° |
| HN1 | C41 | HN2 | 106.1° | 109.5° |
| S43 | C42 | HO1 | 106.0° | 109.5° |
| S43 | C42 | HO2 | 112.4° | 109.4° |
| C42 | S43 | C44 | 112.5° | 100.0° |
| HO1 | C42 | HO2 | 105.9° | 109.5° |
| S43 | C44 | C45 | 121.6° | 120.1° |
| S43 | C44 | C49 | 117.5° | 120.1° |
| C45 | C44 | C49 | 120.9° | 119.8° |
| C44 | C45 | C46 | 119.4° | 119.9° |
| C44 | C45 | HP1 | 121.6° | 120.1° |
| C44 | C49 | C48 | 119.2° | 119.9° |
| C44 | C49 | HP2 | 120.3° | 120.0° |
| C46 | C45 | HP1 | 119.0° | 120.0° |
| C45 | C46 | C47 | 120.3° | 120.1° |
| C45 | C46 | HQ1 | 119.8° | 119.9° |
| C47 | C46 | HQ1 | 119.9° | 120.0° |
| C46 | C47 | C48 | 119.8° | 120.2° |
| C46 | C47 | HR | 119.9° | 119.9° |
| C48 | C47 | HR | 120.3° | 119.9° |
| C47 | C48 | C49 | 120.3° | 120.1° |
| C47 | C48 | HQ2 | 119.7° | 120.0° |
| C49 | C48 | HQ2 | 120.0° | 119.9° |
| C48 | C49 | HP2 | 120.5° | 120.0° |
| C2 | C1 | C6 | 120.1° | 120.0° |
| C2 | C1 | HA | 119.9° | 120.0° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C1 | C2 | HB1 | 120.0° | 120.0° |
| C6 | C1 | HA | 119.9° | 120.0° |
| C1 | C6 | C5 | 120.0° | 120.0° |
| C1 | C6 | HB2 | 120.1° | 120.1° |
| C3 | C2 | HB1 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.3° | 120.0° |
| C2 | C3 | HC1 | 119.1° | 120.0° |
| C4 | C3 | HC1 | 120.6° | 120.0° |
| C3 | C4 | C5 | 119.3° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C4 | C5 | HC2 | 120.4° | 120.0° |
| C6 | C5 | HC2 | 119.3° | 120.0° |
| C5 | C6 | HB2 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C4 | HD1 | 119.9° | 120.0° |
| C9 | C8 | C4 | HD2 | 125.3° | 120.0° |
| C9 | C8 | HD1 | HD2 | 118.0° | 120.0° |
| C8 | C9 | C10 | HE1 | 119.5° | 120.0° |
| C8 | C9 | C10 | HE2 | 124.8° | 119.9° |
| C8 | C9 | HE1 | HE2 | 119.8° | 120.0° |
| C8 | C9 | C10 | S11 | 9.1° | 90.1° |
| C8 | C9 | C10 | N14 | 171.0° | 90.0° |
| C9 | C8 | C4 | C3 | 88.2° | 90.0° |
| C9 | C8 | C4 | C5 | 91.8° | 90.3° |
| C4 | C8 | HD1 | HD2 | 118.2° | 120.0° |
| C4 | C8 | C9 | C10 | 135.7° | 180.0° |
| C4 | C8 | C9 | HE1 | 16.6° | 60.0° |
| C4 | C8 | C9 | HE2 | 100.3° | 60.0° |
| C8 | C4 | C3 | C2 | 180.0° | 180.0° |
| C8 | C4 | C3 | C5 | 180.0° | 179.7° |
| C8 | C4 | C3 | HC1 | 0.1° | 0.0° |
| C8 | C4 | C5 | C6 | 180.0° | 179.8° |
| C8 | C4 | C5 | HC2 | 0.1° | 0.3° |
| HD1 | C8 | C9 | C10 | 104.3° | 60.0° |
| HD1 | C8 | C9 | HE1 | 136.6° | 180.0° |
| HD1 | C8 | C9 | HE2 | 19.7° | 60.0° |
| HD1 | C8 | C4 | C3 | 31.7° | 30.0° |
| HD1 | C8 | C4 | C5 | 148.3° | 149.7° |
| HD2 | C8 | C9 | C10 | 10.3° | 60.0° |
| HD2 | C8 | C9 | HE1 | 108.8° | 60.0° |
| HD2 | C8 | C9 | HE2 | 134.3° | 180.0° |
| HD2 | C8 | C4 | C3 | 146.4° | 150.0° |
| HD2 | C8 | C4 | C5 | 33.5° | 29.7° |
| C10 | C9 | HE1 | HE2 | 117.7° | 120.0° |
| C9 | C10 | S11 | N14 | 179.9° | 180.0° |
| C9 | C10 | S11 | C12 | 179.9° | 180.0° |
| C9 | C10 | N14 | C13 | 180.0° | 180.0° |
| HE1 | C9 | C10 | S11 | 110.5° | 29.9° |
| HE1 | C9 | C10 | N14 | 69.5° | 150.0° |
| HE2 | C9 | C10 | S11 | 133.8° | 150.0° |
| HE2 | C9 | C10 | N14 | 46.2° | 30.0° |
| C10 | S11 | C12 | C13 | 0.0° | 0.0° |
| C10 | S11 | C12 | C18 | 179.9° | 180.0° |
| S11 | C10 | N14 | C13 | 0.0° | 0.0° |
| N14 | C10 | S11 | C12 | 0.0° | 0.0° |
| C10 | N14 | C13 | C12 | 0.1° | 0.0° |
| C10 | N14 | C13 | C15 | 179.9° | 179.8° |
| S11 | C12 | C13 | C18 | 179.9° | 180.0° |
| S11 | C12 | C13 | N14 | 0.1° | 0.0° |
| S11 | C12 | C13 | C15 | 179.9° | 179.8° |
| S11 | C12 | C18 | C17 | 180.0° | 180.0° |
| S11 | C12 | C18 | HH | 0.1° | 0.1° |
| C12 | C13 | N14 | C15 | 179.8° | 179.8° |
| C12 | C13 | C15 | C16 | 0.1° | 0.4° |
| C12 | C13 | C15 | HF | 179.9° | 179.7° |
| C13 | C12 | C18 | C17 | 0.1° | 0.1° |
| C13 | C12 | C18 | HH | 180.0° | 180.0° |
| C18 | C12 | C13 | N14 | 180.0° | 180.0° |
| C18 | C12 | C13 | C15 | 0.2° | 0.2° |
| C12 | C18 | C17 | C16 | 0.1° | 0.1° |
| C12 | C18 | C17 | HH | 179.9° | 179.9° |
| C12 | C18 | C17 | HG | 179.9° | 180.0° |
| N14 | C13 | C15 | C16 | 180.0° | 179.8° |
| N14 | C13 | C15 | HF | 0.0° | 0.1° |
| C13 | C15 | C16 | HF | 180.0° | 179.9° |
| C13 | C15 | C16 | C17 | 0.1° | 0.4° |
| C13 | C15 | C16 | C19 | 179.9° | 179.8° |
| C15 | C16 | C17 | C19 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 0.0° | 0.2° |
| C15 | C16 | C17 | HG | 179.9° | 179.7° |
| C15 | C16 | C19 | C20 | 12.6° | 140.2° |
| C15 | C16 | C19 | C24 | 167.9° | 39.8° |
| HF | C15 | C16 | C17 | 179.9° | 179.7° |
| HF | C15 | C16 | C19 | 0.1° | 0.1° |
| C16 | C17 | C18 | HG | 180.0° | 179.9° |
| C16 | C17 | C18 | HH | 179.9° | 180.0° |
| C17 | C16 | C19 | C20 | 167.4° | 39.9° |
| C17 | C16 | C19 | C24 | 12.1° | 140.1° |
| C19 | C16 | C17 | C18 | 179.9° | 180.0° |
| C19 | C16 | C17 | HG | 0.1° | 0.1° |
| C16 | C19 | C20 | C24 | 179.6° | 180.0° |
| C16 | C19 | C20 | C21 | 179.4° | 180.0° |
| C16 | C19 | C20 | HI1 | 0.5° | 0.0° |
| C16 | C19 | C24 | C23 | 179.4° | 179.7° |
| C16 | C19 | C24 | HI2 | 0.4° | 0.0° |
| HG | C17 | C18 | HH | 0.0° | 0.1° |
| C19 | C20 | C21 | HI1 | 179.9° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | HJ1 | 179.9° | 180.0° |
| C20 | C19 | C24 | C23 | 0.2° | 0.3° |
| C20 | C19 | C24 | HI2 | 180.0° | 180.0° |
| C24 | C19 | C20 | C21 | 0.2° | 0.0° |
| C24 | C19 | C20 | HI1 | 179.9° | 180.0° |
| C19 | C24 | C23 | C22 | 0.1° | 0.7° |
| C19 | C24 | C23 | HI2 | 179.8° | 179.7° |
| C19 | C24 | C23 | HJ2 | 179.9° | 180.0° |
| C20 | C21 | C22 | HJ1 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.0° | 0.3° |
| C20 | C21 | C22 | C25 | 180.0° | 180.0° |
| HI1 | C20 | C21 | C22 | 180.0° | 180.0° |
| HI1 | C20 | C21 | HJ1 | 0.0° | 0.1° |
| C21 | C22 | C23 | C25 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 0.0° | 0.7° |
| C21 | C22 | C23 | HJ2 | 180.0° | 180.0° |
| C21 | C22 | C25 | N26 | 0.0° | 180.0° |
| C21 | C22 | C25 | O29 | 179.9° | 0.1° |
| HJ1 | C21 | C22 | C23 | 180.0° | 179.7° |
| HJ1 | C21 | C22 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | HJ2 | 180.0° | 179.3° |
| C22 | C23 | C24 | HI2 | 179.9° | 179.6° |
| C23 | C22 | C25 | N26 | 180.0° | 0.3° |
| C23 | C22 | C25 | O29 | 0.1° | 179.7° |
| C25 | C22 | C23 | C24 | 180.0° | 179.7° |
| C25 | C22 | C23 | HJ2 | 0.0° | 0.3° |
| C22 | C25 | N26 | O29 | 179.9° | 180.0° |
| C22 | C25 | N26 | S27 | 180.0° | 180.0° |
| C22 | C25 | N26 | H26 | 0.0° | 0.0° |
| HJ2 | C23 | C24 | HI2 | 0.1° | 0.3° |
| C25 | N26 | S27 | H26 | 180.0° | 179.9° |
| C25 | N26 | S27 | C28 | 27.3° | 65.0° |
| C25 | N26 | S27 | O30 | 147.2° | 47.6° |
| C25 | N26 | S27 | O31 | 97.8° | 177.6° |
| O29 | C25 | N26 | S27 | 0.1° | 0.0° |
| O29 | C25 | N26 | H26 | 179.9° | 179.9° |
| N26 | S27 | C28 | O30 | 114.3° | 112.6° |
| N26 | S27 | C28 | O31 | 122.4° | 112.6° |
| N26 | S27 | O30 | O31 | 113.8° | 123.2° |
| N26 | S27 | C28 | C32 | 93.5° | 90.0° |
| N26 | S27 | C28 | C36 | 85.7° | 90.1° |
| H26 | N26 | S27 | C28 | 152.7° | 114.9° |
| H26 | N26 | S27 | O30 | 32.9° | 132.5° |
| H26 | N26 | S27 | O31 | 82.2° | 2.4° |
| C28 | S27 | O30 | O31 | 125.1° | 123.1° |
| S27 | C28 | C32 | C36 | 179.2° | 179.9° |
| S27 | C28 | C32 | C33 | 178.5° | 180.0° |
| S27 | C28 | C32 | HK | 1.2° | 0.1° |
| S27 | C28 | C36 | C35 | 178.5° | 180.0° |
| S27 | C28 | C36 | HM | 1.0° | 0.1° |
| O30 | S27 | C28 | C32 | 20.8° | 157.4° |
| O30 | S27 | C28 | C36 | 160.0° | 22.5° |
| O31 | S27 | C28 | C32 | 144.1° | 22.6° |
| O31 | S27 | C28 | C36 | 36.7° | 157.4° |
| C28 | C32 | C33 | HK | 179.7° | 180.0° |
| C28 | C32 | C33 | C34 | 0.2° | 0.3° |
| C28 | C32 | C33 | N37 | 179.6° | 180.0° |
| C32 | C28 | C36 | C35 | 0.7° | 0.1° |
| C32 | C28 | C36 | HM | 179.8° | 180.0° |
| C36 | C28 | C32 | C33 | 0.7° | 0.0° |
| C36 | C28 | C32 | HK | 179.6° | 180.0° |
| C28 | C36 | C35 | C34 | 0.4° | 0.2° |
| C28 | C36 | C35 | HM | 179.5° | 179.9° |
| C28 | C36 | C35 | HL | 179.3° | 180.0° |
| C32 | C33 | C34 | N37 | 179.9° | 179.7° |
| C32 | C33 | C34 | C35 | 0.1° | 0.5° |
| C32 | C33 | C34 | N40 | 180.0° | 180.0° |
| C32 | C33 | N37 | O38 | 0.1° | 37.8° |
| C32 | C33 | N37 | O39 | 179.9° | 142.5° |
| HK | C32 | C33 | C34 | 179.9° | 179.7° |
| HK | C32 | C33 | N37 | 0.1° | 0.0° |
| C33 | C34 | C35 | N40 | 179.8° | 179.4° |
| C33 | C34 | C35 | C36 | 0.1° | 0.5° |
| C33 | C34 | C35 | HL | 179.8° | 179.7° |
| C34 | C33 | N37 | O38 | 179.9° | 142.0° |
| C34 | C33 | N37 | O39 | 0.1° | 37.7° |
| C33 | C34 | N40 | C41 | 179.9° | 173.5° |
| C33 | C34 | N40 | H40 | 0.2° | 6.4° |
| N37 | C33 | C34 | C35 | 180.0° | 179.7° |
| N37 | C33 | C34 | N40 | 0.2° | 0.3° |
| C33 | N37 | O38 | O39 | 180.0° | 179.7° |
| C34 | C35 | C36 | HL | 179.7° | 179.8° |
| C34 | C35 | C36 | HM | 179.9° | 179.7° |
| C35 | C34 | N40 | C41 | 0.0° | 5.9° |
| C35 | C34 | N40 | H40 | 180.0° | 174.2° |
| N40 | C34 | C35 | C36 | 179.9° | 180.0° |
| N40 | C34 | C35 | HL | 0.4° | 0.2° |
| C34 | N40 | C41 | H40 | 179.9° | 179.9° |
| C34 | N40 | C41 | C42 | 94.6° | 180.0° |
| C34 | N40 | C41 | HN1 | 25.2° | 60.0° |
| C34 | N40 | C41 | HN2 | 142.2° | 60.0° |
| HL | C35 | C36 | HM | 0.1° | 0.1° |
| N40 | C41 | C42 | HN1 | 121.1° | 120.1° |
| N40 | C41 | C42 | HN2 | 122.7° | 119.9° |
| N40 | C41 | HN1 | HN2 | 119.6° | 119.9° |
| N40 | C41 | C42 | S43 | 63.1° | 180.0° |
| N40 | C41 | C42 | HO1 | 179.2° | 59.9° |
| N40 | C41 | C42 | HO2 | 64.8° | 60.1° |
| H40 | N40 | C41 | C42 | 85.3° | 0.1° |
| H40 | N40 | C41 | HN1 | 154.9° | 120.0° |
| H40 | N40 | C41 | HN2 | 37.9° | 120.1° |
| C42 | C41 | HN1 | HN2 | 119.3° | 120.0° |
| C41 | C42 | S43 | HO1 | 117.0° | 120.1° |
| C41 | C42 | S43 | HO2 | 127.8° | 119.9° |
| C41 | C42 | HO1 | HO2 | 120.2° | 120.0° |
| C41 | C42 | S43 | C44 | 83.2° | 180.0° |
| HN1 | C41 | C42 | S43 | 58.0° | 60.0° |
| HN1 | C41 | C42 | HO1 | 58.1° | NaN° |
| HN1 | C41 | C42 | HO2 | 174.1° | 60.0° |
| HN2 | C41 | C42 | S43 | 174.2° | 60.1° |
| HN2 | C41 | C42 | HO1 | 58.1° | 60.0° |
| HN2 | C41 | C42 | HO2 | 57.9° | 180.0° |
| S43 | C42 | HO1 | HO2 | 119.5° | 120.0° |
| C42 | S43 | C44 | C45 | 173.1° | 180.0° |
| C42 | S43 | C44 | C49 | 6.8° | 0.3° |
| HO1 | C42 | S43 | C44 | 159.8° | 60.0° |
| HO2 | C42 | S43 | C44 | 44.7° | 60.0° |
| S43 | C44 | C45 | C49 | 179.9° | 179.7° |
| S43 | C44 | C45 | C46 | 179.9° | 180.0° |
| S43 | C44 | C45 | HP1 | 0.2° | 0.0° |
| S43 | C44 | C49 | C48 | 180.0° | 179.7° |
| S43 | C44 | C49 | HP2 | 0.1° | 0.3° |
| C44 | C45 | C46 | HP1 | 180.0° | 180.0° |
| C44 | C45 | C46 | C47 | 0.1° | 0.0° |
| C44 | C45 | C46 | HQ1 | 179.9° | 180.0° |
| C45 | C44 | C49 | C48 | 0.1° | 0.6° |
| C45 | C44 | C49 | HP2 | 180.0° | 179.9° |
| C49 | C44 | C45 | C46 | 0.0° | 0.3° |
| C49 | C44 | C45 | HP1 | 180.0° | 179.7° |
| C44 | C49 | C48 | C47 | 0.1° | 0.6° |
| C44 | C49 | C48 | HP2 | 179.9° | 179.4° |
| C44 | C49 | C48 | HQ2 | 179.9° | 179.7° |
| C45 | C46 | C47 | HQ1 | 179.8° | 180.0° |
| C45 | C46 | C47 | C48 | 0.2° | 0.0° |
| C45 | C46 | C47 | HR | 180.0° | 180.0° |
| HP1 | C45 | C46 | C47 | 179.8° | 180.0° |
| HP1 | C45 | C46 | HQ1 | 0.0° | 0.0° |
| C46 | C47 | C48 | HR | 179.8° | 180.0° |
| C46 | C47 | C48 | C49 | 0.1° | 0.3° |
| C46 | C47 | C48 | HQ2 | 179.8° | 180.0° |
| HQ1 | C46 | C47 | C48 | 180.0° | 180.0° |
| HQ1 | C46 | C47 | HR | 0.2° | 0.0° |
| C47 | C48 | C49 | HQ2 | 179.9° | 179.7° |
| C47 | C48 | C49 | HP2 | 179.9° | 180.0° |
| HR | C47 | C48 | C49 | 179.9° | 179.7° |
| HR | C47 | C48 | HQ2 | 0.0° | 0.0° |
| HQ2 | C48 | C49 | HP2 | 0.2° | 0.3° |
| C2 | C1 | C6 | HA | 180.0° | 180.0° |
| C1 | C2 | C3 | HB1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | HC1 | 179.9° | 179.9° |
| C2 | C1 | C6 | C5 | 0.0° | 0.2° |
| C2 | C1 | C6 | HB2 | 179.9° | 179.9° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C6 | C1 | C2 | HB1 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.5° |
| C1 | C6 | C5 | HB2 | 179.9° | 179.8° |
| C1 | C6 | C5 | HC2 | 179.9° | 180.0° |
| HA | C1 | C2 | C3 | 180.0° | 180.0° |
| HA | C1 | C2 | HB1 | 0.0° | 0.1° |
| HA | C1 | C6 | C5 | 180.0° | 179.8° |
| HA | C1 | C6 | HB2 | 0.1° | 0.0° |
| C2 | C3 | C4 | HC1 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.3° |
| HB1 | C2 | C3 | C4 | 180.0° | 180.0° |
| HB1 | C2 | C3 | HC1 | 0.1° | 0.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.5° |
| C3 | C4 | C5 | HC2 | 179.9° | 180.0° |
| HC1 | C3 | C4 | C5 | 179.9° | 179.7° |
| C4 | C5 | C6 | HC2 | 179.9° | 179.5° |
| C4 | C5 | C6 | HB2 | 179.9° | 179.7° |
| HC2 | C5 | C6 | HB2 | 0.0° | 0.2° |
