603
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
| C9 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.44Å | |
| C17 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| O34 | C22 | sing | 1.43Å | 1.41Å | |
| C14 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| O35 | C23 | sing | 1.43Å | 1.42Å | |
| C5 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C18 | C20 | sing | 1.48Å | 1.46Å | |
| C22 | C23 | sing | 1.53Å | 1.49Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| N27 | C1 | trip | 1.14Å | 1.16Å | |
| N28 | C20 | sing | 1.35Å | 1.38Å | |
| N28 | C21 | sing | 1.46Å | 1.45Å | |
| C7 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C15 | sing | 1.40Å | 1.37Å | Aromatic |
| C20 | O30 | doub | 1.22Å | 1.22Å | |
| C21 | C25 | sing | 1.53Å | 1.51Å | |
| C1 | C15 | sing | 1.43Å | 1.43Å | |
| C13 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C26 | C24 | sing | 1.53Å | 1.51Å | |
| C26 | N29 | sing | 1.47Å | 1.47Å | |
| C24 | O33 | sing | 1.43Å | 1.43Å | |
| C25 | O33 | sing | 1.43Å | 1.43Å | |
| C25 | O36 | sing | 1.43Å | 1.41Å | |
| C19 | S37 | sing | 1.76Å | 1.77Å | |
| C19 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| O31 | S37 | doub | 1.42Å | 1.45Å | |
| C6 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| N29 | S37 | sing | 1.66Å | 1.72Å | |
| S37 | O32 | doub | 1.42Å | 1.45Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| N28 | H21 | sing | 0.97Å | 1.00Å | |
| N29 | H22 | sing | 0.97Å | 1.00Å | |
| O34 | H23 | sing | 0.97Å | 0.95Å | |
| O35 | H24 | sing | 0.97Å | 0.95Å | |
| O36 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C4 | 122.6° | 120.2° |
| C2 | C3 | C8 | 120.9° | 120.1° |
| C3 | C2 | H1 | 118.7° | 119.8° |
| C2 | C3 | H2 | 119.6° | 119.9° |
| C2 | C4 | C9 | 115.9° | 120.2° |
| C4 | C2 | H1 | 118.7° | 119.9° |
| C2 | C4 | H3 | 122.0° | 120.0° |
| C3 | C8 | C16 | 117.1° | 119.9° |
| C8 | C3 | H2 | 119.6° | 120.0° |
| C3 | C8 | H7 | 121.5° | 120.0° |
| C4 | C9 | C16 | 122.2° | 119.8° |
| C9 | C4 | H3 | 122.0° | 119.9° |
| C4 | C9 | H8 | 118.9° | 120.1° |
| C8 | C16 | C9 | 121.3° | 119.8° |
| C8 | C16 | C17 | 121.7° | 120.1° |
| C16 | C8 | H7 | 121.5° | 120.1° |
| C9 | C16 | C17 | 117.0° | 120.1° |
| C16 | C9 | H8 | 118.9° | 120.1° |
| C16 | C17 | C10 | 125.0° | 120.0° |
| C16 | C17 | C14 | 115.6° | 120.1° |
| C10 | C17 | C14 | 119.4° | 119.9° |
| C17 | C10 | C5 | 120.1° | 120.2° |
| C17 | C10 | H9 | 120.0° | 119.9° |
| C17 | C14 | C18 | 119.8° | 119.7° |
| C17 | C14 | H13 | 120.1° | 120.1° |
| C10 | C5 | C11 | 120.6° | 120.3° |
| C10 | C5 | H4 | 119.7° | 119.8° |
| C5 | C10 | H9 | 120.0° | 119.9° |
| O34 | C22 | C23 | 102.4° | 109.5° |
| O34 | C22 | C21 | 107.5° | 109.5° |
| O34 | C22 | H15 | 113.8° | 109.6° |
| C22 | O34 | H23 | 109.5° | 113.9° |
| C14 | C18 | C11 | 121.8° | 119.8° |
| C14 | C18 | C20 | 115.4° | 120.1° |
| C18 | C14 | H13 | 120.1° | 120.2° |
| O35 | C23 | C22 | 107.0° | 109.5° |
| O35 | C23 | C24 | 109.4° | 109.5° |
| O35 | C23 | H16 | 109.7° | 109.6° |
| C23 | O35 | H24 | 109.5° | 114.0° |
| C5 | C11 | C18 | 118.3° | 120.1° |
| C11 | C5 | H4 | 119.7° | 119.9° |
| C5 | C11 | H10 | 120.8° | 119.9° |
| C11 | C18 | C20 | 122.8° | 120.1° |
| C18 | C11 | H10 | 120.9° | 120.0° |
| C18 | C20 | N28 | 113.2° | 120.0° |
| C18 | C20 | O30 | 118.3° | 120.0° |
| C23 | C22 | C21 | 107.5° | 109.1° |
| C22 | C23 | C24 | 113.5° | 109.1° |
| C23 | C22 | H15 | 112.6° | 109.6° |
| C22 | C23 | H16 | 108.7° | 109.5° |
| C22 | C21 | N28 | 109.4° | 109.6° |
| C22 | C21 | C25 | 109.9° | 109.1° |
| C22 | C21 | H14 | 108.1° | 109.5° |
| C21 | C22 | H15 | 112.4° | 109.5° |
| C23 | C24 | C26 | 101.6° | 109.4° |
| C23 | C24 | O33 | 113.2° | 109.4° |
| C24 | C23 | H16 | 108.5° | 109.6° |
| C23 | C24 | H17 | 111.1° | 109.5° |
| N27 | C1 | C15 | 179.0° | 180.0° |
| C20 | N28 | C21 | 123.2° | 120.0° |
| N28 | C20 | O30 | 128.5° | 120.0° |
| C20 | N28 | H21 | 118.4° | 120.0° |
| N28 | C21 | C25 | 112.7° | 109.5° |
| N28 | C21 | H14 | 108.8° | 109.5° |
| C21 | N28 | H21 | 118.4° | 120.0° |
| C13 | C7 | C15 | 121.1° | 119.9° |
| C7 | C13 | C19 | 118.1° | 120.1° |
| C13 | C7 | H6 | 119.4° | 120.1° |
| C7 | C13 | H12 | 120.9° | 120.0° |
| C7 | C15 | C1 | 118.9° | 120.1° |
| C7 | C15 | C6 | 119.8° | 119.7° |
| C15 | C7 | H6 | 119.5° | 120.1° |
| C21 | C25 | O33 | 117.2° | 109.4° |
| C21 | C25 | O36 | 111.5° | 109.4° |
| C25 | C21 | H14 | 107.9° | 109.5° |
| C21 | C25 | H18 | 103.4° | 109.5° |
| C1 | C15 | C6 | 121.4° | 120.2° |
| C13 | C19 | S37 | 119.0° | 119.8° |
| C13 | C19 | C12 | 121.7° | 120.3° |
| C19 | C13 | H12 | 121.0° | 119.9° |
| C15 | C6 | C12 | 119.8° | 119.9° |
| C15 | C6 | H5 | 120.1° | 120.0° |
| C24 | C26 | N29 | 109.4° | 109.4° |
| C26 | C24 | O33 | 107.0° | 109.5° |
| C26 | C24 | H17 | 111.0° | 109.5° |
| C24 | C26 | H19 | 109.5° | 109.5° |
| C24 | C26 | H20 | 109.5° | 109.5° |
| C26 | N29 | S37 | 117.9° | 120.0° |
| N29 | C26 | H19 | 109.5° | 109.5° |
| N29 | C26 | H20 | 109.5° | 109.5° |
| C26 | N29 | H22 | 107.3° | 120.0° |
| C24 | O33 | C25 | 116.4° | 114.1° |
| O33 | C24 | H17 | 112.3° | 109.5° |
| O33 | C25 | O36 | 114.5° | 109.5° |
| O33 | C25 | H18 | 104.1° | 109.5° |
| O36 | C25 | H18 | 104.3° | 109.5° |
| C25 | O36 | H25 | 109.5° | 114.0° |
| S37 | C19 | C12 | 119.3° | 119.9° |
| C19 | S37 | O31 | 104.2° | 106.4° |
| C19 | S37 | N29 | 105.0° | 107.2° |
| C19 | S37 | O32 | 106.4° | 106.4° |
| C19 | C12 | C6 | 119.5° | 120.2° |
| C19 | C12 | H11 | 120.2° | 119.9° |
| O31 | S37 | N29 | 114.1° | 106.4° |
| O31 | S37 | O32 | 121.6° | 123.2° |
| C12 | C6 | H5 | 120.1° | 120.1° |
| C6 | C12 | H11 | 120.2° | 120.0° |
| N29 | S37 | O32 | 104.3° | 106.4° |
| S37 | N29 | H22 | 107.3° | 120.0° |
| H19 | C26 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C4 | H1 | 180.0° | 179.7° |
| C2 | C3 | C8 | H2 | 180.0° | 180.0° |
| C3 | C2 | C4 | C9 | 0.4° | 0.1° |
| C2 | C3 | C8 | C16 | 0.1° | 0.0° |
| C3 | C2 | C4 | H3 | 179.7° | 180.0° |
| C2 | C3 | C8 | H7 | 179.9° | 180.0° |
| C4 | C2 | C3 | C8 | 0.4° | 0.0° |
| C2 | C4 | C9 | H3 | 180.0° | 179.9° |
| C2 | C4 | C9 | C16 | 0.0° | 0.1° |
| C4 | C2 | C3 | H2 | 179.6° | 180.0° |
| C2 | C4 | C9 | H8 | 179.9° | 179.9° |
| C3 | C8 | C16 | H7 | 180.0° | 180.0° |
| C3 | C8 | C16 | C9 | 0.2° | 0.0° |
| C3 | C8 | C16 | C17 | 179.9° | 180.0° |
| C8 | C3 | C2 | H1 | 179.6° | 179.7° |
| C4 | C9 | C16 | C8 | 0.3° | 0.0° |
| C4 | C9 | C16 | H8 | 180.0° | 180.0° |
| C4 | C9 | C16 | C17 | 180.0° | 179.9° |
| C9 | C4 | C2 | H1 | 179.6° | 179.7° |
| C8 | C16 | C9 | C17 | 179.7° | 180.0° |
| C8 | C16 | C17 | C10 | 10.5° | 0.0° |
| C8 | C16 | C17 | C14 | 171.6° | 180.0° |
| C16 | C8 | C3 | H2 | 179.9° | 180.0° |
| C8 | C16 | C9 | H8 | 179.8° | 179.9° |
| C9 | C16 | C17 | C10 | 169.2° | 180.0° |
| C9 | C16 | C17 | C14 | 8.7° | 0.0° |
| C16 | C9 | C4 | H3 | 180.0° | 180.0° |
| C9 | C16 | C8 | H7 | 179.8° | 180.0° |
| C16 | C17 | C10 | C14 | 177.9° | 180.0° |
| C16 | C17 | C10 | C5 | 177.4° | 180.0° |
| C16 | C17 | C14 | C18 | 178.1° | 179.7° |
| C17 | C16 | C8 | H7 | 0.1° | 0.0° |
| C17 | C16 | C9 | H8 | 0.0° | 0.1° |
| C16 | C17 | C10 | H9 | 2.6° | 0.0° |
| C16 | C17 | C14 | H13 | 1.9° | 0.2° |
| C17 | C10 | C5 | H9 | 180.0° | 180.0° |
| C10 | C17 | C14 | C18 | 0.0° | 0.3° |
| C17 | C10 | C5 | C11 | 0.2° | 0.0° |
| C17 | C10 | C5 | H4 | 179.8° | 179.7° |
| C10 | C17 | C14 | H13 | 179.9° | 179.8° |
| C14 | C17 | C10 | C5 | 0.5° | 0.0° |
| C17 | C14 | C18 | H13 | 180.0° | 179.5° |
| C17 | C14 | C18 | C11 | 0.9° | 0.5° |
| C17 | C14 | C18 | C20 | 179.5° | 180.0° |
| C14 | C17 | C10 | H9 | 179.5° | 180.0° |
| C10 | C5 | C11 | H4 | 180.0° | 179.7° |
| C10 | C5 | C11 | C18 | 0.6° | 0.3° |
| C10 | C5 | C11 | H10 | 179.4° | 179.7° |
| O34 | C22 | C23 | O35 | 66.7° | 63.3° |
| O34 | C22 | C23 | C21 | 113.0° | 119.8° |
| O34 | C22 | C23 | H15 | 122.6° | 120.3° |
| O34 | C22 | C21 | H15 | 126.0° | 120.2° |
| O34 | C22 | C23 | C24 | 172.5° | 176.9° |
| O34 | C22 | C21 | N28 | 70.0° | 63.2° |
| O34 | C22 | C21 | C25 | 165.8° | 176.8° |
| O34 | C22 | C21 | H14 | 48.3° | 57.0° |
| O34 | C22 | C23 | H16 | 51.8° | 56.9° |
| C14 | C18 | C11 | C5 | 1.2° | 0.5° |
| C14 | C18 | C11 | C20 | 178.5° | 179.5° |
| C14 | C18 | C20 | N28 | 47.0° | 180.0° |
| C14 | C18 | C20 | O30 | 132.3° | 0.1° |
| C14 | C18 | C11 | H10 | 178.8° | 179.5° |
| O35 | C23 | C22 | C24 | 120.8° | 119.9° |
| O35 | C23 | C22 | H16 | 118.4° | 120.2° |
| O35 | C23 | C22 | C21 | 179.7° | 176.9° |
| O35 | C23 | C24 | H16 | 119.6° | 120.2° |
| O35 | C23 | C24 | C26 | 75.5° | 62.5° |
| O35 | C23 | C24 | O33 | 170.1° | 177.5° |
| O35 | C23 | C22 | H15 | 56.0° | 57.0° |
| O35 | C23 | C24 | H17 | 42.7° | 57.5° |
| C5 | C11 | C18 | H10 | 180.0° | 180.0° |
| C5 | C11 | C18 | C20 | 179.7° | 180.0° |
| C11 | C5 | C10 | H9 | 179.8° | 180.0° |
| C11 | C18 | C20 | N28 | 134.4° | 0.5° |
| C11 | C18 | C20 | O30 | 46.2° | 179.4° |
| C18 | C11 | C5 | H4 | 179.3° | 180.0° |
| C11 | C18 | C14 | H13 | 179.1° | 180.0° |
| C18 | C20 | N28 | O30 | 179.3° | 179.9° |
| C18 | C20 | N28 | C21 | 153.3° | 180.0° |
| C20 | C18 | C11 | H10 | 0.4° | 0.0° |
| C20 | C18 | C14 | H13 | 0.5° | 0.5° |
| C18 | C20 | N28 | H21 | 26.6° | 0.1° |
| C23 | C22 | C21 | H15 | 124.4° | 119.9° |
| C22 | C23 | C24 | H16 | 120.9° | 119.9° |
| C23 | C22 | C21 | N28 | 179.6° | 176.9° |
| C23 | C22 | C21 | C25 | 56.2° | 57.0° |
| C22 | C23 | C24 | C26 | 165.1° | 177.6° |
| C22 | C23 | C24 | O33 | 50.7° | 57.6° |
| C23 | C22 | C21 | H14 | 61.3° | 62.9° |
| C22 | C23 | C24 | H17 | 76.8° | 62.4° |
| C23 | C22 | O34 | H23 | 180.0° | 60.0° |
| C22 | C23 | O35 | H24 | 180.0° | 60.0° |
| C21 | C22 | C23 | C24 | 59.5° | 57.0° |
| C22 | C21 | N28 | C20 | 154.5° | 155.3° |
| C22 | C21 | N28 | C25 | 122.5° | 119.7° |
| C22 | C21 | N28 | H14 | 117.8° | 120.2° |
| C22 | C21 | C25 | H14 | 117.6° | 119.9° |
| C22 | C21 | C25 | O33 | 48.4° | 57.6° |
| C22 | C21 | C25 | O36 | 86.2° | 62.4° |
| C21 | C22 | C23 | H16 | 61.3° | 62.9° |
| C22 | C21 | C25 | H18 | 162.3° | 177.6° |
| C22 | C21 | N28 | H21 | 25.5° | 24.7° |
| C21 | C22 | O34 | H23 | 66.9° | 179.6° |
| C23 | C24 | C26 | O33 | 118.9° | 119.9° |
| C23 | C24 | C26 | H17 | 118.2° | 120.0° |
| C23 | C24 | C26 | N29 | 161.0° | 175.0° |
| C23 | C24 | O33 | H17 | 126.8° | 120.0° |
| C23 | C24 | O33 | C25 | 39.0° | 61.2° |
| C24 | C23 | C22 | H15 | 64.8° | 62.9° |
| C23 | C24 | C26 | H19 | 79.0° | 55.0° |
| C23 | C24 | C26 | H20 | 41.0° | 65.0° |
| C24 | C23 | O35 | H24 | 56.6° | 179.6° |
| N27 | C1 | C15 | C7 | 42.2° | 48.5° |
| N27 | C1 | C15 | C6 | 137.8° | 131.5° |
| C20 | N28 | C21 | H21 | 180.0° | 180.0° |
| C20 | N28 | C21 | C25 | 83.0° | 85.0° |
| C20 | N28 | C21 | H14 | 36.6° | 35.1° |
| C21 | N28 | C20 | O30 | 25.9° | 0.1° |
| N28 | C21 | C25 | H14 | 120.1° | 120.1° |
| N28 | C21 | C25 | O33 | 170.7° | 177.6° |
| N28 | C21 | C25 | O36 | 36.0° | 57.6° |
| N28 | C21 | C22 | H15 | 56.0° | 57.0° |
| N28 | C21 | C25 | H18 | 75.5° | 62.4° |
| C13 | C7 | C15 | H6 | 180.0° | 179.2° |
| C13 | C7 | C15 | C1 | 179.7° | 179.5° |
| C7 | C13 | C19 | H12 | 180.0° | 179.2° |
| C13 | C7 | C15 | C6 | 0.4° | 0.5° |
| C7 | C13 | C19 | S37 | 180.0° | 180.0° |
| C7 | C13 | C19 | C12 | 0.5° | 0.5° |
| C7 | C15 | C1 | C6 | 180.0° | 180.0° |
| C15 | C7 | C13 | C19 | 0.6° | 0.8° |
| C7 | C15 | C6 | C12 | 0.1° | 0.0° |
| C7 | C15 | C6 | H5 | 179.9° | 179.7° |
| C15 | C7 | C13 | H12 | 179.4° | 180.0° |
| O30 | C20 | N28 | H21 | 154.1° | 180.0° |
| C21 | C25 | O33 | C24 | 39.6° | 61.2° |
| C21 | C25 | O33 | O36 | 133.3° | 119.9° |
| C21 | C25 | O33 | H18 | 113.4° | 120.0° |
| C21 | C25 | O36 | H18 | 110.9° | 120.0° |
| C25 | C21 | C22 | H15 | 68.2° | 63.0° |
| C25 | C21 | N28 | H21 | 97.0° | 95.0° |
| C21 | C25 | O36 | H25 | 180.0° | 180.0° |
| C1 | C15 | C6 | C12 | 180.0° | 179.9° |
| C1 | C15 | C6 | H5 | 0.1° | 0.3° |
| C1 | C15 | C7 | H6 | 0.3° | 0.3° |
| C13 | C19 | S37 | C12 | 179.6° | 179.5° |
| C13 | C19 | S37 | O31 | 60.1° | 156.5° |
| C13 | C19 | C12 | C6 | 0.2° | 0.0° |
| C13 | C19 | S37 | N29 | 60.2° | 90.0° |
| C13 | C19 | S37 | O32 | 170.3° | 23.5° |
| C19 | C13 | C7 | H6 | 179.4° | 180.0° |
| C13 | C19 | C12 | H11 | 179.8° | 180.0° |
| C15 | C6 | C12 | C19 | 0.0° | 0.3° |
| C15 | C6 | C12 | H5 | 180.0° | 179.7° |
| C6 | C15 | C7 | H6 | 179.6° | 179.7° |
| C15 | C6 | C12 | H11 | 179.9° | 179.8° |
| C24 | C26 | N29 | H19 | 120.0° | 120.0° |
| C24 | C26 | N29 | H20 | 120.0° | 120.0° |
| C26 | C24 | O33 | H17 | 122.1° | 120.1° |
| C26 | C24 | O33 | C25 | 150.1° | 178.9° |
| C24 | C26 | N29 | S37 | 116.7° | 165.0° |
| C26 | C24 | C23 | H16 | 44.1° | 57.7° |
| C24 | C26 | H19 | H20 | 120.0° | 120.0° |
| C24 | C26 | N29 | H22 | 4.5° | 15.0° |
| N29 | C26 | C24 | O33 | 42.1° | 65.1° |
| C26 | N29 | S37 | C19 | 45.6° | 65.0° |
| C26 | N29 | S37 | O31 | 67.8° | 48.6° |
| C26 | N29 | S37 | H22 | 121.2° | 180.0° |
| C26 | N29 | S37 | O32 | 157.4° | 178.5° |
| N29 | C26 | C24 | H17 | 80.8° | 55.0° |
| N29 | C26 | H19 | H20 | 120.1° | 120.1° |
| C24 | O33 | C25 | O36 | 93.8° | 58.8° |
| O33 | C24 | C23 | H16 | 70.3° | 62.2° |
| C24 | O33 | C25 | H18 | 153.0° | 178.9° |
| O33 | C24 | C26 | H19 | 162.1° | 174.9° |
| O33 | C24 | C26 | H20 | 77.9° | 54.9° |
| O33 | C25 | O36 | H18 | 113.1° | 120.1° |
| O33 | C25 | C21 | H14 | 69.2° | 62.3° |
| C25 | O33 | C24 | H17 | 87.9° | 58.8° |
| O33 | C25 | O36 | H25 | 44.0° | 60.1° |
| O36 | C25 | C21 | H14 | 156.1° | 177.7° |
| C19 | S37 | O31 | N29 | 113.9° | 114.1° |
| C19 | S37 | O31 | O32 | 119.8° | 123.0° |
| S37 | C19 | C12 | C6 | 179.7° | 179.5° |
| C19 | S37 | N29 | O32 | 111.7° | 113.5° |
| S37 | C19 | C12 | H11 | 0.3° | 0.4° |
| S37 | C19 | C13 | H12 | 0.0° | 0.8° |
| C19 | S37 | N29 | H22 | 75.5° | 115.0° |
| C12 | C19 | S37 | O31 | 119.5° | 24.0° |
| C19 | C12 | C6 | H11 | 180.0° | 179.9° |
| C12 | C19 | S37 | N29 | 120.3° | 89.5° |
| C12 | C19 | S37 | O32 | 10.1° | 157.0° |
| C19 | C12 | C6 | H5 | 180.0° | 180.0° |
| C12 | C19 | C13 | H12 | 179.5° | 179.7° |
| O31 | S37 | N29 | O32 | 134.9° | 132.9° |
| O31 | S37 | N29 | H22 | 171.1° | 131.5° |
| S37 | N29 | C26 | H19 | 123.3° | 45.0° |
| S37 | N29 | C26 | H20 | 3.3° | 75.0° |
| O32 | S37 | N29 | H22 | 36.2° | 1.4° |
| H1 | C2 | C3 | H2 | 0.4° | 0.3° |
| H1 | C2 | C4 | H3 | 0.3° | 0.3° |
| H2 | C3 | C8 | H7 | 0.2° | 0.0° |
| H3 | C4 | C9 | H8 | 0.0° | 0.0° |
| H4 | C5 | C10 | H9 | 0.2° | 0.3° |
| H4 | C5 | C11 | H10 | 0.6° | 0.0° |
| H5 | C6 | C12 | H11 | 0.0° | 0.1° |
| H6 | C7 | C13 | H12 | 0.6° | 0.9° |
| H14 | C21 | C22 | H15 | 174.3° | 177.2° |
| H14 | C21 | C25 | H18 | 44.7° | 57.7° |
| H14 | C21 | N28 | H21 | 143.3° | 144.9° |
| H15 | C22 | C23 | H16 | 174.4° | 177.2° |
| H15 | C22 | O34 | H23 | 58.2° | 60.2° |
| H16 | C23 | C24 | H17 | 162.3° | 177.7° |
| H16 | C23 | O35 | H24 | 62.2° | 60.1° |
| H17 | C24 | C26 | H19 | 39.2° | 65.0° |
| H17 | C24 | C26 | H20 | 159.2° | 175.0° |
| H18 | C25 | O36 | H25 | 69.1° | 60.0° |
| H19 | C26 | N29 | H22 | 115.5° | 135.0° |
| H20 | C26 | N29 | H22 | 124.4° | 105.0° |
