526
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | O37 | sing | 1.44Å | 1.41Å | |
| C38 | C36 | sing | 1.55Å | 1.50Å | |
| C32 | C29 | sing | 1.53Å | 1.52Å | |
| O37 | C35 | sing | 1.43Å | 1.43Å | |
| C36 | C34 | sing | 1.55Å | 1.51Å | |
| C31 | C29 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C29 | C8 | sing | 1.53Å | 1.54Å | |
| C35 | C34 | sing | 1.54Å | 1.51Å | |
| C34 | O19 | sing | 1.45Å | 1.43Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C8 | C7 | sing | 1.52Å | 1.53Å | |
| C9 | N10 | sing | 1.44Å | 1.47Å | |
| O19 | C18 | sing | 1.35Å | 1.37Å | |
| C7 | C4 | sing | 1.51Å | 1.50Å | |
| O15 | C13 | sing | 1.43Å | 1.42Å | |
| C18 | O20 | doub | 1.21Å | 1.23Å | |
| C18 | N17 | sing | 1.35Å | 1.38Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| N17 | C14 | sing | 1.46Å | 1.45Å | |
| C12 | N10 | sing | 1.46Å | 1.47Å | |
| N10 | S11 | sing | 1.66Å | 1.68Å | |
| C4 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| O28 | S11 | doub | 1.42Å | 1.45Å | |
| S11 | C5 | sing | 1.76Å | 1.77Å | |
| S11 | O27 | doub | 1.42Å | 1.43Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C21 | sing | 1.51Å | 1.49Å | |
| C2 | F33 | sing | 1.35Å | 1.34Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| O15 | H13 | sing | 0.97Å | 0.95Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| N17 | H16 | sing | 0.97Å | 1.00Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C38 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O37 | C38 | C36 | 106.3° | 105.2° |
| C38 | O37 | C35 | 105.4° | 109.9° |
| O37 | C38 | H36 | 110.3° | 110.3° |
| O37 | C38 | H37 | 110.2° | 110.3° |
| C38 | C36 | C34 | 103.9° | 100.9° |
| C38 | C36 | H34 | 110.8° | 111.1° |
| C38 | C36 | H35 | 110.8° | 111.2° |
| C36 | C38 | H36 | 110.3° | 110.3° |
| C36 | C38 | H37 | 110.3° | 110.4° |
| C32 | C29 | C31 | 107.6° | 109.5° |
| C32 | C29 | C30 | 107.9° | 109.5° |
| C32 | C29 | C8 | 113.1° | 109.5° |
| C29 | C32 | H28 | 109.5° | 109.5° |
| C29 | C32 | H29 | 109.5° | 109.5° |
| C29 | C32 | H30 | 109.5° | 109.4° |
| O37 | C35 | C34 | 104.7° | 107.6° |
| O37 | C35 | H32 | 110.6° | 109.9° |
| O37 | C35 | H33 | 110.6° | 109.9° |
| C36 | C34 | C35 | 104.9° | 102.4° |
| C36 | C34 | O19 | 108.7° | 110.8° |
| C36 | C34 | H31 | 112.0° | 110.8° |
| C34 | C36 | H34 | 110.9° | 111.1° |
| C34 | C36 | H35 | 110.9° | 111.1° |
| C31 | C29 | C30 | 104.8° | 109.5° |
| C31 | C29 | C8 | 112.0° | 109.5° |
| C29 | C31 | H25 | 109.5° | 109.5° |
| C29 | C31 | H26 | 109.5° | 109.5° |
| C29 | C31 | H27 | 109.4° | 109.4° |
| C30 | C29 | C8 | 110.9° | 109.5° |
| C29 | C30 | H22 | 109.5° | 109.5° |
| C29 | C30 | H23 | 109.4° | 109.5° |
| C29 | C30 | H24 | 109.5° | 109.5° |
| C29 | C8 | C9 | 110.5° | 109.3° |
| C29 | C8 | C7 | 112.1° | 109.3° |
| C29 | C8 | H6 | 107.1° | 109.2° |
| C35 | C34 | O19 | 105.5° | 110.9° |
| C35 | C34 | H31 | 111.9° | 110.9° |
| C34 | C35 | H32 | 110.6° | 109.8° |
| C34 | C35 | H33 | 110.7° | 109.8° |
| C34 | O19 | C18 | 116.0° | 117.0° |
| O19 | C34 | H31 | 113.3° | 110.8° |
| C9 | C8 | C7 | 112.4° | 110.2° |
| C8 | C9 | N10 | 114.1° | 109.0° |
| C9 | C8 | H6 | 107.2° | 109.3° |
| C8 | C9 | H7 | 108.3° | 109.5° |
| C8 | C9 | H8 | 108.3° | 109.6° |
| C8 | C7 | C4 | 121.3° | 113.7° |
| C8 | C7 | H4 | 106.5° | 108.6° |
| C8 | C7 | H5 | 106.5° | 108.5° |
| C7 | C8 | H6 | 107.2° | 109.4° |
| C9 | N10 | C12 | 119.6° | 121.2° |
| C9 | N10 | S11 | 121.7° | 117.6° |
| N10 | C9 | H7 | 108.3° | 109.5° |
| N10 | C9 | H8 | 108.3° | 109.6° |
| O19 | C18 | O20 | 126.1° | 120.0° |
| O19 | C18 | N17 | 106.9° | 120.0° |
| C7 | C4 | C3 | 115.0° | 114.4° |
| C7 | C4 | C5 | 128.2° | 127.8° |
| C4 | C7 | H4 | 106.4° | 108.6° |
| C4 | C7 | H5 | 106.4° | 108.7° |
| O15 | C13 | C12 | 108.5° | 109.5° |
| O15 | C13 | C14 | 110.3° | 109.5° |
| O15 | C13 | H11 | 107.8° | 109.5° |
| C13 | O15 | H13 | 109.5° | 114.0° |
| O20 | C18 | N17 | 126.9° | 120.0° |
| C18 | N17 | C14 | 122.9° | 120.0° |
| C18 | N17 | H16 | 118.6° | 120.0° |
| C12 | C13 | C14 | 116.5° | 109.5° |
| C13 | C12 | N10 | 110.1° | 109.5° |
| C13 | C12 | H9 | 109.3° | 109.4° |
| C13 | C12 | H10 | 109.3° | 109.5° |
| C12 | C13 | H11 | 106.8° | 109.5° |
| C13 | C14 | N17 | 106.5° | 109.5° |
| C13 | C14 | C16 | 115.8° | 109.5° |
| C14 | C13 | H11 | 106.6° | 109.5° |
| C13 | C14 | H12 | 107.7° | 109.5° |
| N17 | C14 | C16 | 110.1° | 109.5° |
| N17 | C14 | H12 | 108.7° | 109.4° |
| C14 | N17 | H16 | 118.5° | 120.0° |
| C12 | N10 | S11 | 117.8° | 121.2° |
| N10 | C12 | H9 | 109.3° | 109.5° |
| N10 | C12 | H10 | 109.3° | 109.5° |
| N10 | S11 | O28 | 107.3° | 106.6° |
| N10 | S11 | C5 | 105.1° | 105.7° |
| N10 | S11 | O27 | 109.0° | 106.6° |
| C3 | C4 | C5 | 116.7° | 117.7° |
| C4 | C3 | C2 | 121.1° | 121.2° |
| C4 | C3 | H2 | 119.4° | 119.4° |
| C4 | C5 | S11 | 123.4° | 120.0° |
| C4 | C5 | C6 | 122.4° | 121.3° |
| C14 | C16 | C21 | 110.3° | 109.5° |
| C16 | C14 | H12 | 107.7° | 109.5° |
| C14 | C16 | H14 | 109.3° | 109.5° |
| C14 | C16 | H15 | 109.3° | 109.5° |
| C3 | C2 | F33 | 119.5° | 119.9° |
| C3 | C2 | C1 | 121.6° | 120.2° |
| C2 | C3 | H2 | 119.4° | 119.4° |
| O28 | S11 | C5 | 105.7° | 106.7° |
| O28 | S11 | O27 | 120.6° | 123.4° |
| C5 | S11 | O27 | 108.1° | 106.6° |
| S11 | C5 | C6 | 114.2° | 118.7° |
| C5 | C6 | C1 | 119.9° | 120.5° |
| C5 | C6 | H3 | 120.0° | 119.7° |
| C16 | C21 | C26 | 119.7° | 120.0° |
| C16 | C21 | C22 | 120.1° | 120.0° |
| C21 | C16 | H14 | 109.3° | 109.4° |
| C21 | C16 | H15 | 109.3° | 109.4° |
| F33 | C2 | C1 | 118.9° | 119.9° |
| C2 | C1 | C6 | 118.2° | 119.0° |
| C2 | C1 | H1 | 120.9° | 120.5° |
| C26 | C21 | C22 | 120.2° | 120.0° |
| C21 | C26 | C25 | 120.1° | 120.0° |
| C21 | C26 | H21 | 119.9° | 120.0° |
| C21 | C22 | C23 | 119.7° | 120.0° |
| C21 | C22 | H17 | 120.2° | 120.0° |
| C26 | C25 | C24 | 119.5° | 120.0° |
| C26 | C25 | H20 | 120.2° | 120.0° |
| C25 | C26 | H21 | 119.9° | 120.0° |
| C6 | C1 | H1 | 120.9° | 120.5° |
| C1 | C6 | H3 | 120.1° | 119.8° |
| C22 | C23 | C24 | 119.9° | 120.0° |
| C23 | C22 | H17 | 120.2° | 120.0° |
| C22 | C23 | H18 | 120.1° | 120.0° |
| C25 | C24 | C23 | 120.6° | 120.0° |
| C25 | C24 | H19 | 119.7° | 120.0° |
| C24 | C25 | H20 | 120.3° | 120.0° |
| C24 | C23 | H18 | 120.0° | 120.0° |
| C23 | C24 | H19 | 119.7° | 120.0° |
| H4 | C7 | H5 | 109.4° | 108.6° |
| H7 | C9 | H8 | 109.5° | 109.6° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.4° |
| H22 | C30 | H23 | 109.5° | 109.5° |
| H22 | C30 | H24 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.5° | 109.5° |
| H25 | C31 | H26 | 109.5° | 109.5° |
| H25 | C31 | H27 | 109.4° | 109.5° |
| H26 | C31 | H27 | 109.5° | 109.5° |
| H28 | C32 | H29 | 109.4° | 109.5° |
| H28 | C32 | H30 | 109.4° | 109.4° |
| H29 | C32 | H30 | 109.5° | 109.4° |
| H32 | C35 | H33 | 109.5° | 109.8° |
| H34 | C36 | H35 | 109.5° | 111.0° |
| H36 | C38 | H37 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O37 | C38 | C36 | H36 | 119.5° | 118.9° |
| O37 | C38 | C36 | H37 | 119.5° | 119.0° |
| O37 | C38 | C36 | C34 | 22.0° | 36.3° |
| C38 | O37 | C35 | C34 | 37.9° | 1.7° |
| C38 | O37 | C35 | H32 | 81.3° | 121.2° |
| C38 | O37 | C35 | H33 | 157.2° | 117.9° |
| O37 | C38 | C36 | H34 | 97.1° | 154.2° |
| O37 | C38 | C36 | H35 | 141.2° | 81.7° |
| O37 | C38 | H36 | H37 | 121.5° | 122.1° |
| C36 | C38 | O37 | C35 | 37.9° | 24.3° |
| C38 | C36 | C34 | H34 | 119.1° | 117.9° |
| C38 | C36 | C34 | H35 | 119.1° | 117.9° |
| C38 | C36 | C34 | C35 | 0.9° | 34.0° |
| C38 | C36 | C34 | O19 | 111.6° | 152.3° |
| C38 | C36 | C34 | H31 | 122.5° | 84.3° |
| C38 | C36 | H34 | H35 | 122.6° | 124.2° |
| C36 | C38 | H36 | H37 | 121.5° | 122.2° |
| C32 | C29 | C31 | C30 | 114.7° | 120.0° |
| C32 | C29 | C31 | C8 | 124.9° | 120.1° |
| C32 | C29 | C30 | C8 | 124.4° | 120.1° |
| C32 | C29 | C8 | C9 | 72.0° | 65.4° |
| C32 | C29 | C8 | C7 | 54.2° | 55.3° |
| C32 | C29 | C8 | H6 | 171.5° | 175.0° |
| C32 | C29 | C30 | H22 | 180.0° | 180.0° |
| C32 | C29 | C30 | H23 | 60.0° | 60.0° |
| C32 | C29 | C30 | H24 | 60.0° | 60.0° |
| C32 | C29 | C31 | H25 | 180.0° | 54.1° |
| C32 | C29 | C31 | H26 | 60.0° | 65.9° |
| C32 | C29 | C31 | H27 | 60.0° | 174.1° |
| C29 | C32 | H28 | H29 | 120.0° | 120.1° |
| C29 | C32 | H28 | H30 | 120.0° | 119.9° |
| C29 | C32 | H29 | H30 | 120.0° | 120.0° |
| O37 | C35 | C34 | C36 | 23.2° | 21.3° |
| O37 | C35 | C34 | H32 | 119.2° | 119.5° |
| O37 | C35 | C34 | H33 | 119.2° | 119.6° |
| O37 | C35 | C34 | O19 | 91.5° | 139.6° |
| O37 | C35 | C34 | H31 | 144.8° | 97.0° |
| O37 | C35 | H32 | H33 | 122.2° | 121.0° |
| C35 | O37 | C38 | H36 | 157.4° | 94.5° |
| C35 | O37 | C38 | H37 | 81.6° | 143.4° |
| C36 | C34 | C35 | O19 | 114.7° | 118.3° |
| C36 | C34 | C35 | H31 | 121.6° | 118.3° |
| C36 | C34 | O19 | H31 | 125.2° | 123.4° |
| C36 | C34 | O19 | C18 | 76.9° | 152.8° |
| C36 | C34 | C35 | H32 | 96.0° | 98.3° |
| C36 | C34 | C35 | H33 | 142.4° | 140.9° |
| C34 | C36 | H34 | H35 | 122.6° | 124.2° |
| C34 | C36 | C38 | H36 | 141.5° | 82.6° |
| C34 | C36 | C38 | H37 | 97.5° | 155.2° |
| C31 | C29 | C30 | C8 | 121.1° | 120.0° |
| C31 | C29 | C8 | C9 | 49.9° | 174.6° |
| C31 | C29 | C8 | C7 | 176.0° | 64.7° |
| C31 | C29 | C8 | H6 | 66.7° | 55.0° |
| C31 | C29 | C30 | H22 | 65.6° | 60.0° |
| C31 | C29 | C30 | H23 | 174.4° | 60.0° |
| C31 | C29 | C30 | H24 | 54.5° | 180.0° |
| C29 | C31 | H25 | H26 | 120.0° | 120.0° |
| C29 | C31 | H25 | H27 | 120.0° | 120.0° |
| C29 | C31 | H26 | H27 | 120.0° | 120.0° |
| C31 | C29 | C32 | H28 | 180.0° | 180.0° |
| C31 | C29 | C32 | H29 | 60.0° | 60.0° |
| C31 | C29 | C32 | H30 | 60.0° | 60.0° |
| C30 | C29 | C8 | C9 | 166.6° | 54.6° |
| C30 | C29 | C8 | C7 | 67.2° | 175.4° |
| C30 | C29 | C8 | H6 | 50.1° | 65.0° |
| C29 | C30 | H22 | H23 | 120.0° | 120.0° |
| C29 | C30 | H22 | H24 | 120.0° | 120.0° |
| C29 | C30 | H23 | H24 | 120.0° | 120.0° |
| C30 | C29 | C31 | H25 | 65.4° | 174.1° |
| C30 | C29 | C31 | H26 | 54.7° | 54.0° |
| C30 | C29 | C31 | H27 | 174.7° | 66.0° |
| C30 | C29 | C32 | H28 | 67.4° | 60.1° |
| C30 | C29 | C32 | H29 | 172.6° | 60.0° |
| C30 | C29 | C32 | H30 | 52.6° | 180.0° |
| C29 | C8 | C9 | C7 | 126.0° | 120.2° |
| C29 | C8 | C9 | H6 | 116.4° | 119.5° |
| C29 | C8 | C7 | H6 | 117.2° | 119.6° |
| C29 | C8 | C9 | N10 | 171.2° | 176.1° |
| C29 | C8 | C7 | C4 | 153.1° | 147.7° |
| C29 | C8 | C7 | H4 | 85.2° | 26.6° |
| C29 | C8 | C7 | H5 | 31.5° | 91.2° |
| C29 | C8 | C9 | H7 | 68.1° | 56.2° |
| C29 | C8 | C9 | H8 | 50.5° | 64.1° |
| C8 | C29 | C30 | H22 | 55.6° | 60.0° |
| C8 | C29 | C30 | H23 | 64.4° | 180.0° |
| C8 | C29 | C30 | H24 | 175.6° | 60.0° |
| C8 | C29 | C31 | H25 | 55.0° | 66.0° |
| C8 | C29 | C31 | H26 | 175.1° | 174.0° |
| C8 | C29 | C31 | H27 | 64.9° | 54.0° |
| C8 | C29 | C32 | H28 | 55.7° | 59.9° |
| C8 | C29 | C32 | H29 | 64.3° | 180.0° |
| C8 | C29 | C32 | H30 | 175.7° | 60.0° |
| C35 | C34 | O19 | H31 | 122.7° | 123.5° |
| C35 | C34 | O19 | C18 | 171.0° | 94.1° |
| C34 | C35 | H32 | H33 | 122.2° | 120.9° |
| C35 | C34 | C36 | H34 | 120.0° | 151.9° |
| C35 | C34 | C36 | H35 | 118.2° | 83.9° |
| C34 | O19 | C18 | O20 | 8.0° | 0.1° |
| C34 | O19 | C18 | N17 | 173.2° | 180.0° |
| O19 | C34 | C35 | H32 | 149.3° | 20.0° |
| O19 | C34 | C35 | H33 | 27.7° | 100.8° |
| O19 | C34 | C36 | H34 | 7.5° | 89.7° |
| O19 | C34 | C36 | H35 | 129.3° | 34.4° |
| C9 | C8 | C7 | H6 | 117.6° | 120.2° |
| C8 | C9 | N10 | H7 | 120.7° | 119.8° |
| C8 | C9 | N10 | H8 | 120.7° | 119.9° |
| C9 | C8 | C7 | C4 | 81.7° | 92.1° |
| C8 | C9 | N10 | C12 | 125.4° | 147.9° |
| C8 | C9 | N10 | S11 | 43.4° | 32.1° |
| C9 | C8 | C7 | H4 | 40.0° | 146.8° |
| C9 | C8 | C7 | H5 | 156.6° | 29.0° |
| C8 | C9 | H7 | H8 | 117.9° | 120.2° |
| C7 | C8 | C9 | N10 | 45.2° | 63.7° |
| C8 | C7 | C4 | H4 | 121.7° | 121.0° |
| C8 | C7 | C4 | H5 | 121.7° | 121.0° |
| C8 | C7 | C4 | C3 | 149.0° | 150.4° |
| C8 | C7 | C4 | C5 | 33.6° | 33.0° |
| C8 | C7 | H4 | H5 | 114.7° | 117.8° |
| C7 | C8 | C9 | H7 | 165.9° | 176.5° |
| C7 | C8 | C9 | H8 | 75.5° | 56.2° |
| C9 | N10 | C12 | C13 | 72.1° | 85.0° |
| C9 | N10 | C12 | S11 | 169.2° | 180.0° |
| C9 | N10 | S11 | O28 | 30.9° | 26.6° |
| C9 | N10 | S11 | C5 | 81.3° | 86.6° |
| C9 | N10 | S11 | O27 | 163.0° | 160.1° |
| N10 | C9 | C8 | H6 | 72.3° | 56.6° |
| N10 | C9 | H7 | H8 | 117.9° | 120.3° |
| C9 | N10 | C12 | H9 | 167.8° | 155.0° |
| C9 | N10 | C12 | H10 | 48.0° | 35.0° |
| O19 | C18 | O20 | N17 | 178.6° | 180.0° |
| O19 | C18 | N17 | C14 | 174.8° | 180.0° |
| O19 | C18 | N17 | H16 | 5.2° | 0.0° |
| C18 | O19 | C34 | H31 | 48.3° | 29.4° |
| C7 | C4 | C3 | C5 | 177.7° | 176.9° |
| C7 | C4 | C3 | C2 | 178.1° | 174.4° |
| C7 | C4 | C5 | S11 | 3.4° | 10.0° |
| C7 | C4 | C5 | C6 | 177.7° | 172.3° |
| C7 | C4 | C3 | H2 | 2.0° | 5.7° |
| C4 | C7 | H4 | H5 | 114.7° | 118.0° |
| C4 | C7 | C8 | H6 | 35.9° | 28.1° |
| O15 | C13 | C12 | C14 | 125.2° | 120.0° |
| O15 | C13 | C12 | H11 | 115.9° | 120.0° |
| O15 | C13 | C14 | H11 | 116.8° | 120.0° |
| O15 | C13 | C14 | N17 | 67.7° | 65.0° |
| O15 | C13 | C12 | N10 | 167.9° | 65.0° |
| O15 | C13 | C14 | C16 | 55.2° | 55.0° |
| O15 | C13 | C12 | H9 | 72.0° | 55.0° |
| O15 | C13 | C12 | H10 | 47.8° | 175.0° |
| O15 | C13 | C14 | H12 | 175.8° | 175.0° |
| O20 | C18 | N17 | C14 | 4.0° | 0.0° |
| O20 | C18 | N17 | H16 | 176.0° | 180.0° |
| C18 | N17 | C14 | C13 | 105.5° | 155.0° |
| C18 | N17 | C14 | H16 | 180.0° | 180.0° |
| C18 | N17 | C14 | C16 | 128.2° | 85.0° |
| C18 | N17 | C14 | H12 | 10.4° | 35.0° |
| C12 | C13 | C14 | H11 | 119.0° | 120.0° |
| C12 | C13 | C14 | N17 | 168.1° | 175.0° |
| C13 | C12 | N10 | H9 | 120.1° | 119.9° |
| C13 | C12 | N10 | H10 | 120.1° | 120.0° |
| C13 | C12 | N10 | S11 | 118.7° | 95.0° |
| C12 | C13 | C14 | C16 | 69.0° | 65.0° |
| C13 | C12 | H9 | H10 | 119.7° | 120.0° |
| C12 | C13 | C14 | H12 | 51.6° | 55.0° |
| C12 | C13 | O15 | H13 | 180.0° | 60.0° |
| C13 | C14 | N17 | C16 | 126.3° | 120.0° |
| C13 | C14 | N17 | H12 | 115.9° | 120.0° |
| C14 | C13 | C12 | N10 | 66.9° | 175.0° |
| C13 | C14 | C16 | H12 | 120.6° | 120.0° |
| C13 | C14 | C16 | C21 | 177.2° | 175.0° |
| C14 | C13 | C12 | H9 | 53.2° | 65.0° |
| C14 | C13 | C12 | H10 | 173.0° | 55.0° |
| C14 | C13 | O15 | H13 | 51.3° | 60.0° |
| C13 | C14 | C16 | H14 | 62.6° | 65.0° |
| C13 | C14 | C16 | H15 | 57.1° | 55.0° |
| C13 | C14 | N17 | H16 | 74.6° | 25.0° |
| N17 | C14 | C16 | H12 | 118.5° | 120.0° |
| N17 | C14 | C16 | C21 | 61.9° | 65.0° |
| N17 | C14 | C13 | H11 | 49.1° | 55.0° |
| N17 | C14 | C16 | H14 | 58.3° | 55.0° |
| N17 | C14 | C16 | H15 | 178.0° | 175.0° |
| C12 | N10 | S11 | O28 | 160.1° | 153.4° |
| C12 | N10 | S11 | C5 | 87.6° | 93.4° |
| C12 | N10 | S11 | O27 | 28.0° | 19.8° |
| C12 | N10 | C9 | H7 | 113.9° | 92.2° |
| C12 | N10 | C9 | H8 | 4.7° | 28.1° |
| N10 | C12 | H9 | H10 | 119.7° | 120.1° |
| N10 | C12 | C13 | H11 | 52.0° | 55.0° |
| N10 | S11 | C5 | C4 | 33.6° | 46.7° |
| N10 | S11 | O28 | C5 | 111.8° | 112.6° |
| N10 | S11 | O28 | O27 | 125.4° | 123.7° |
| N10 | S11 | C5 | O27 | 116.3° | 113.2° |
| N10 | S11 | C5 | C6 | 147.5° | 135.5° |
| S11 | N10 | C9 | H7 | 77.3° | 87.8° |
| S11 | N10 | C9 | H8 | 164.1° | 151.9° |
| S11 | N10 | C12 | H9 | 1.4° | 25.0° |
| S11 | N10 | C12 | H10 | 121.2° | 145.0° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | S11 | 179.3° | 173.6° |
| C3 | C4 | C5 | C6 | 0.4° | 4.1° |
| C4 | C3 | C2 | F33 | 179.3° | 180.0° |
| C4 | C3 | C2 | C1 | 0.9° | 0.0° |
| C3 | C4 | C7 | H4 | 89.3° | 29.4° |
| C3 | C4 | C7 | H5 | 27.3° | 88.6° |
| C5 | C4 | C3 | C2 | 0.4° | 2.6° |
| C4 | C5 | S11 | O28 | 79.8° | 66.5° |
| C4 | C5 | S11 | C6 | 179.0° | 177.8° |
| C4 | C5 | S11 | O27 | 149.9° | 160.0° |
| C4 | C5 | C6 | C1 | 0.9° | 3.2° |
| C5 | C4 | C3 | H2 | 179.6° | 177.4° |
| C4 | C5 | C6 | H3 | 179.1° | 177.2° |
| C5 | C4 | C7 | H4 | 88.0° | 154.0° |
| C5 | C4 | C7 | H5 | 155.3° | 88.0° |
| C14 | C16 | C21 | H14 | 120.1° | 120.0° |
| C14 | C16 | C21 | H15 | 120.1° | 120.1° |
| C14 | C16 | C21 | C26 | 100.3° | 89.9° |
| C14 | C16 | C21 | C22 | 78.5° | 89.7° |
| C16 | C14 | C13 | H11 | 172.0° | 175.0° |
| C14 | C16 | H14 | H15 | 119.6° | 120.1° |
| C16 | C14 | N17 | H16 | 51.7° | 95.1° |
| C3 | C2 | F33 | C1 | 178.5° | 180.0° |
| C3 | C2 | C1 | C6 | 1.3° | 1.1° |
| C3 | C2 | C1 | H1 | 178.7° | 178.6° |
| O28 | S11 | C5 | O27 | 130.4° | 133.6° |
| O28 | S11 | C5 | C6 | 99.2° | 111.3° |
| S11 | C5 | C6 | C1 | 179.8° | 174.6° |
| S11 | C5 | C6 | H3 | 0.1° | 5.0° |
| O27 | S11 | C5 | C6 | 31.2° | 22.3° |
| C5 | C6 | C1 | C2 | 1.3° | 0.5° |
| C5 | C6 | C1 | H3 | 180.0° | 179.6° |
| C5 | C6 | C1 | H1 | 178.7° | 179.9° |
| C16 | C21 | C26 | C22 | 178.8° | 179.7° |
| C16 | C21 | C26 | C25 | 178.1° | 179.8° |
| C16 | C21 | C22 | C23 | 178.4° | 180.0° |
| C21 | C16 | C14 | H12 | 56.6° | 55.0° |
| C21 | C16 | H14 | H15 | 119.6° | 119.9° |
| C16 | C21 | C22 | H17 | 1.6° | 0.0° |
| C16 | C21 | C26 | H21 | 1.9° | 0.0° |
| F33 | C2 | C1 | C6 | 179.8° | 178.9° |
| F33 | C2 | C1 | H1 | 0.2° | 1.4° |
| F33 | C2 | C3 | H2 | 0.7° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 179.2° | 179.9° |
| C2 | C1 | C6 | H3 | 178.7° | 179.9° |
| C21 | C26 | C25 | H21 | 180.0° | 179.8° |
| C26 | C21 | C22 | C23 | 0.3° | 0.3° |
| C21 | C26 | C25 | C24 | 0.6° | 0.5° |
| C26 | C21 | C16 | H14 | 19.8° | 30.1° |
| C26 | C21 | C16 | H15 | 139.6° | 150.0° |
| C26 | C21 | C22 | H17 | 179.6° | 179.7° |
| C21 | C26 | C25 | H20 | 179.4° | 179.7° |
| C22 | C21 | C26 | C25 | 0.7° | 0.5° |
| C21 | C22 | C23 | H17 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C22 | C21 | C16 | H14 | 161.4° | 150.3° |
| C22 | C21 | C16 | H15 | 41.6° | 30.4° |
| C21 | C22 | C23 | H18 | 179.9° | 180.0° |
| C22 | C21 | C26 | H21 | 179.3° | 179.7° |
| C26 | C25 | C24 | H20 | 180.0° | 179.8° |
| C26 | C25 | C24 | C23 | 0.1° | 0.3° |
| C26 | C25 | C24 | H19 | 179.9° | 179.8° |
| C22 | C23 | C24 | C25 | 0.3° | 0.0° |
| C22 | C23 | C24 | H18 | 180.0° | 180.0° |
| C22 | C23 | C24 | H19 | 179.7° | 180.0° |
| C25 | C24 | C23 | H19 | 180.0° | 179.9° |
| C25 | C24 | C23 | H18 | 179.8° | 180.0° |
| C24 | C25 | C26 | H21 | 179.4° | 179.7° |
| C24 | C23 | C22 | H17 | 179.9° | 179.9° |
| C23 | C24 | C25 | H20 | 179.9° | 180.0° |
| H1 | C1 | C6 | H3 | 1.3° | 0.3° |
| H4 | C7 | C8 | H6 | 157.5° | 92.9° |
| H5 | C7 | C8 | H6 | 85.8° | 149.2° |
| H6 | C8 | C9 | H7 | 48.4° | 63.3° |
| H6 | C8 | C9 | H8 | 167.0° | 176.4° |
| H9 | C12 | C13 | H11 | 172.1° | 175.0° |
| H10 | C12 | C13 | H11 | 68.1° | 65.0° |
| H11 | C13 | C14 | H12 | 67.4° | 65.0° |
| H11 | C13 | O15 | H13 | 64.7° | 180.0° |
| H12 | C14 | C16 | H14 | 176.7° | 175.0° |
| H12 | C14 | C16 | H15 | 63.5° | 65.0° |
| H12 | C14 | N17 | H16 | 169.6° | 145.0° |
| H17 | C22 | C23 | H18 | 0.1° | 0.0° |
| H18 | C23 | C24 | H19 | 0.2° | 0.1° |
| H19 | C24 | C25 | H20 | 0.1° | 0.0° |
| H20 | C25 | C26 | H21 | 0.6° | 0.1° |
| H22 | C30 | H23 | H24 | 120.0° | 120.0° |
| H25 | C31 | H26 | H27 | 120.0° | 120.0° |
| H28 | C32 | H29 | H30 | 120.0° | 120.0° |
| H31 | C34 | C35 | H32 | 25.6° | 143.4° |
| H31 | C34 | C35 | H33 | 95.9° | 22.6° |
| H31 | C34 | C36 | H34 | 118.4° | 33.6° |
| H31 | C34 | C36 | H35 | 3.4° | 157.8° |
| H34 | C36 | C38 | H36 | 22.4° | 35.3° |
| H34 | C36 | C38 | H37 | 143.4° | 86.8° |
| H35 | C36 | C38 | H36 | 99.3° | 159.5° |
| H35 | C36 | C38 | H37 | 21.7° | 37.3° |
