03C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | N1 | sing | 1.35Å | 1.39Å | Aromatic |
| N4 | N1 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.40Å | 1.34Å | Aromatic |
| C2 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| N8 | C3 | sing | 1.38Å | 1.36Å | |
| C9 | N4 | doub | 1.30Å | 1.39Å | Aromatic |
| C11 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | C7 | sing | 1.47Å | 1.49Å | |
| C7 | C9 | sing | 1.42Å | 1.39Å | Aromatic |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| N8 | HN8A | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | C13 | sing | 1.48Å | 1.51Å | |
| O16 | C13 | doub | 1.22Å | 1.22Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C21 | sing | 1.51Å | 1.49Å | |
| C20 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C24 | sing | 1.53Å | 1.54Å | |
| C21 | C23 | sing | 1.53Å | 1.54Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | N27 | sing | 1.47Å | 1.48Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | N27 | sing | 1.47Å | 1.48Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| N27 | S28 | sing | 1.66Å | 1.62Å | |
| O30 | S28 | doub | 1.42Å | 1.44Å | |
| S28 | O29 | doub | 1.42Å | 1.45Å | |
| S28 | C31 | sing | 1.81Å | 1.66Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | N4 | 107.8° | 108.5° |
| C3 | N1 | C2 | 128.4° | 125.7° |
| N1 | C3 | C7 | 107.9° | 107.0° |
| N1 | C3 | N8 | 125.4° | 126.5° |
| N4 | N1 | C2 | 123.8° | 125.8° |
| N1 | N4 | C9 | 108.4° | 109.3° |
| N1 | C2 | C6 | 119.8° | 120.1° |
| N1 | C2 | C5 | 120.0° | 120.1° |
| C6 | C2 | C5 | 120.2° | 119.9° |
| C2 | C6 | C12 | 120.0° | 120.0° |
| C2 | C6 | H6 | 120.0° | 120.1° |
| C2 | C5 | C11 | 120.8° | 120.0° |
| C2 | C5 | C10 | 120.0° | 119.9° |
| C7 | C3 | N8 | 126.6° | 126.5° |
| C3 | C7 | C13 | 126.8° | 126.5° |
| C3 | C7 | C9 | 107.9° | 106.9° |
| C3 | N8 | HN8 | 109.5° | 120.0° |
| C3 | N8 | HN8A | 109.5° | 119.9° |
| N4 | C9 | C7 | 108.0° | 108.3° |
| N4 | C9 | H9 | 126.0° | 125.9° |
| C11 | C5 | C10 | 119.2° | 120.1° |
| C5 | C11 | H11 | 109.5° | 109.4° |
| C5 | C11 | H11A | 109.5° | 109.4° |
| C5 | C11 | H11B | 109.4° | 109.5° |
| C5 | C10 | C14 | 119.7° | 120.1° |
| C5 | C10 | H10 | 120.1° | 120.0° |
| C12 | C6 | H6 | 120.0° | 120.0° |
| C6 | C12 | C14 | 119.4° | 120.0° |
| C6 | C12 | H12 | 120.3° | 120.0° |
| C13 | C7 | C9 | 125.3° | 126.6° |
| C7 | C13 | C15 | 121.9° | 120.0° |
| C7 | C13 | O16 | 119.6° | 120.0° |
| C7 | C9 | H9 | 126.0° | 125.9° |
| HN8 | N8 | HN8A | 109.5° | 120.0° |
| C14 | C10 | H10 | 120.2° | 119.9° |
| C10 | C14 | C12 | 120.7° | 120.1° |
| C10 | C14 | H14 | 119.6° | 119.9° |
| H11 | C11 | H11A | 109.4° | 109.5° |
| H11 | C11 | H11B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| C14 | C12 | H12 | 120.3° | 119.9° |
| C12 | C14 | H14 | 119.7° | 119.9° |
| C15 | C13 | O16 | 118.5° | 120.1° |
| C13 | C15 | C18 | 117.3° | 120.2° |
| C13 | C15 | C17 | 123.2° | 120.2° |
| C18 | C15 | C17 | 119.5° | 119.7° |
| C15 | C18 | C20 | 120.9° | 119.9° |
| C15 | C18 | H18 | 119.5° | 120.1° |
| C15 | C17 | C19 | 119.7° | 119.9° |
| C15 | C17 | H17 | 120.1° | 120.1° |
| C19 | C17 | H17 | 120.2° | 120.0° |
| C17 | C19 | C22 | 119.5° | 120.1° |
| C17 | C19 | C21 | 123.1° | 120.0° |
| C20 | C18 | H18 | 119.6° | 120.0° |
| C18 | C20 | C22 | 119.4° | 120.1° |
| C18 | C20 | H20 | 120.3° | 120.0° |
| C22 | C19 | C21 | 117.4° | 119.9° |
| C19 | C22 | C20 | 121.0° | 120.3° |
| C19 | C22 | H22 | 119.5° | 119.8° |
| C19 | C21 | C24 | 107.9° | 109.5° |
| C19 | C21 | C23 | 112.0° | 109.5° |
| C19 | C21 | H21 | 110.0° | 109.5° |
| C22 | C20 | H20 | 120.3° | 119.9° |
| C20 | C22 | H22 | 119.5° | 119.9° |
| C24 | C21 | C23 | 112.6° | 109.5° |
| C24 | C21 | H21 | 109.3° | 109.5° |
| C21 | C24 | C26 | 113.2° | 109.3° |
| C21 | C24 | H24 | 108.3° | 109.5° |
| C21 | C24 | H24A | 108.3° | 109.5° |
| C23 | C21 | H21 | 104.9° | 109.4° |
| C21 | C23 | C25 | 113.6° | 109.4° |
| C21 | C23 | H23 | 108.1° | 109.5° |
| C21 | C23 | H23A | 108.1° | 109.5° |
| C25 | C23 | H23 | 108.1° | 109.5° |
| C25 | C23 | H23A | 108.1° | 109.6° |
| C23 | C25 | N27 | 108.6° | 108.8° |
| C23 | C25 | H25 | 109.8° | 109.6° |
| C23 | C25 | H25A | 109.8° | 109.6° |
| H23 | C23 | H23A | 110.8° | 109.5° |
| C26 | C24 | H24 | 108.3° | 109.5° |
| C26 | C24 | H24A | 108.3° | 109.5° |
| C24 | C26 | N27 | 108.1° | 108.8° |
| C24 | C26 | H26 | 110.0° | 109.6° |
| C24 | C26 | H26A | 110.0° | 109.5° |
| H24 | C24 | H24A | 110.6° | 109.5° |
| N27 | C25 | H25 | 109.8° | 109.6° |
| N27 | C25 | H25A | 109.8° | 109.5° |
| C25 | N27 | C26 | 108.3° | 118.7° |
| C25 | N27 | S28 | 113.8° | 120.7° |
| H25 | C25 | H25A | 109.2° | 109.7° |
| N27 | C26 | H26 | 109.9° | 109.6° |
| N27 | C26 | H26A | 109.9° | 109.6° |
| C26 | N27 | S28 | 110.9° | 120.6° |
| H26 | C26 | H26A | 109.0° | 109.7° |
| N27 | S28 | O30 | 111.3° | 104.3° |
| N27 | S28 | O29 | 108.5° | 104.3° |
| N27 | S28 | C31 | 109.9° | 104.4° |
| O30 | S28 | O29 | 109.9° | 121.0° |
| O30 | S28 | C31 | 108.6° | 110.5° |
| O29 | S28 | C31 | 108.6° | 110.5° |
| S28 | C31 | H31 | 109.5° | 109.4° |
| S28 | C31 | H31A | 109.4° | 109.5° |
| S28 | C31 | H31B | 109.4° | 109.4° |
| H31 | C31 | H31A | 109.5° | 109.5° |
| H31 | C31 | H31B | 109.5° | 109.6° |
| H31A | C31 | H31B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | N4 | C2 | 179.8° | 179.8° |
| C3 | N1 | C2 | C6 | 73.9° | 49.2° |
| C3 | N1 | C2 | C5 | 107.7° | 131.2° |
| N1 | C3 | C7 | N8 | 179.6° | 179.9° |
| C3 | N1 | N4 | C9 | 0.1° | 0.3° |
| N1 | C3 | C7 | C13 | 180.0° | 179.9° |
| N1 | C3 | C7 | C9 | 0.1° | 0.2° |
| N1 | C3 | N8 | HN8 | 180.0° | 5.0° |
| N1 | C3 | N8 | HN8A | 60.0° | 175.1° |
| N4 | N1 | C2 | C6 | 106.3° | 130.5° |
| N4 | N1 | C2 | C5 | 72.1° | 49.1° |
| N4 | N1 | C3 | C7 | 0.0° | 0.3° |
| N4 | N1 | C3 | N8 | 179.6° | 179.8° |
| N1 | N4 | C9 | C7 | 0.2° | 0.2° |
| N1 | N4 | C9 | H9 | 179.8° | 179.9° |
| N1 | C2 | C6 | C5 | 178.3° | 179.7° |
| C2 | N1 | C3 | C7 | 179.8° | 180.0° |
| C2 | N1 | C3 | N8 | 0.2° | 0.1° |
| C2 | N1 | N4 | C9 | 179.7° | 179.9° |
| N1 | C2 | C5 | C11 | 1.7° | 0.1° |
| N1 | C2 | C5 | C10 | 178.8° | 180.0° |
| N1 | C2 | C6 | C12 | 179.0° | 179.9° |
| N1 | C2 | C6 | H6 | 1.0° | 0.0° |
| C6 | C2 | C5 | C11 | 180.0° | 179.7° |
| C6 | C2 | C5 | C10 | 0.5° | 0.3° |
| C2 | C6 | C12 | H6 | 180.0° | 180.0° |
| C2 | C6 | C12 | C14 | 0.4° | 0.0° |
| C2 | C6 | C12 | H12 | 179.6° | 179.9° |
| C2 | C5 | C11 | C10 | 179.5° | 180.0° |
| C5 | C2 | C6 | C12 | 0.6° | 0.3° |
| C5 | C2 | C6 | H6 | 179.4° | 179.7° |
| C2 | C5 | C10 | C14 | 0.2° | 0.0° |
| C2 | C5 | C10 | H10 | 179.8° | 180.0° |
| C2 | C5 | C11 | H11 | 90.3° | 94.7° |
| C2 | C5 | C11 | H11A | 149.7° | 145.4° |
| C2 | C5 | C11 | H11B | 29.7° | 25.3° |
| C3 | C7 | C9 | N4 | 0.2° | 0.0° |
| C3 | C7 | C13 | C9 | 179.8° | 179.7° |
| C7 | C3 | N8 | HN8 | 0.4° | 175.1° |
| C7 | C3 | N8 | HN8A | 119.6° | 4.8° |
| C3 | C7 | C9 | H9 | 179.8° | 179.9° |
| C3 | C7 | C13 | C15 | 168.0° | 173.9° |
| C3 | C7 | C13 | O16 | 12.3° | 6.2° |
| N8 | C3 | C7 | C13 | 0.3° | 0.2° |
| N8 | C3 | C7 | C9 | 179.5° | 179.9° |
| C3 | N8 | HN8 | HN8A | 120.0° | 179.9° |
| N4 | C9 | C7 | C13 | 179.9° | 179.8° |
| N4 | C9 | C7 | H9 | 180.0° | 179.9° |
| C11 | C5 | C10 | C14 | 179.7° | 179.9° |
| C11 | C5 | C10 | H10 | 0.3° | 0.0° |
| C5 | C11 | H11 | H11A | 120.0° | 119.9° |
| C5 | C11 | H11 | H11B | 120.0° | 120.0° |
| C5 | C11 | H11A | H11B | 120.0° | 120.0° |
| C5 | C10 | C14 | H10 | 180.0° | 180.0° |
| C10 | C5 | C11 | H11 | 90.2° | 85.4° |
| C10 | C5 | C11 | H11A | 29.8° | 34.6° |
| C10 | C5 | C11 | H11B | 149.8° | 154.7° |
| C5 | C10 | C14 | C12 | 0.0° | 0.3° |
| C5 | C10 | C14 | H14 | 179.9° | 179.9° |
| C6 | C12 | C14 | C10 | 0.1° | 0.3° |
| C6 | C12 | C14 | H12 | 180.0° | 179.9° |
| C6 | C12 | C14 | H14 | 179.9° | 179.9° |
| H6 | C6 | C12 | C14 | 179.6° | 180.0° |
| H6 | C6 | C12 | H12 | 0.4° | 0.1° |
| C13 | C7 | C9 | H9 | 0.1° | 0.1° |
| C7 | C13 | C15 | O16 | 179.7° | 179.9° |
| C7 | C13 | C15 | C18 | 149.0° | 28.2° |
| C7 | C13 | C15 | C17 | 31.4° | 152.1° |
| C9 | C7 | C13 | C15 | 12.2° | 5.8° |
| C9 | C7 | C13 | O16 | 167.5° | 174.1° |
| C10 | C14 | C12 | H14 | 180.0° | 179.8° |
| C10 | C14 | C12 | H12 | 179.9° | 179.8° |
| H10 | C10 | C14 | C12 | 180.0° | 179.7° |
| H10 | C10 | C14 | H14 | 0.0° | 0.1° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| H12 | C12 | C14 | H14 | 0.1° | 0.0° |
| C13 | C15 | C18 | C17 | 179.6° | 179.6° |
| C13 | C15 | C17 | C19 | 179.6° | 179.9° |
| C13 | C15 | C17 | H17 | 0.4° | 0.1° |
| C13 | C15 | C18 | C20 | 179.7° | 179.9° |
| C13 | C15 | C18 | H18 | 0.3° | 0.1° |
| O16 | C13 | C15 | C18 | 30.7° | 151.9° |
| O16 | C13 | C15 | C17 | 148.9° | 27.7° |
| C18 | C15 | C17 | C19 | 0.0° | 0.3° |
| C18 | C15 | C17 | H17 | 180.0° | 179.7° |
| C15 | C18 | C20 | H18 | 180.0° | 180.0° |
| C15 | C18 | C20 | C22 | 0.1° | 0.1° |
| C15 | C18 | C20 | H20 | 179.9° | 180.0° |
| C15 | C17 | C19 | H17 | 180.0° | 180.0° |
| C17 | C15 | C18 | C20 | 0.1° | 0.3° |
| C17 | C15 | C18 | H18 | 179.9° | 179.7° |
| C15 | C17 | C19 | C22 | 0.1° | 0.0° |
| C15 | C17 | C19 | C21 | 179.5° | 180.0° |
| C17 | C19 | C22 | C21 | 179.4° | 180.0° |
| C17 | C19 | C22 | C20 | 0.1° | 0.2° |
| C17 | C19 | C21 | C24 | 94.3° | 120.0° |
| C17 | C19 | C21 | C23 | 30.3° | 119.9° |
| C17 | C19 | C21 | H21 | 146.5° | 0.0° |
| C17 | C19 | C22 | H22 | 179.9° | 180.0° |
| H17 | C17 | C19 | C22 | 179.9° | 180.0° |
| H17 | C17 | C19 | C21 | 0.5° | 0.0° |
| C18 | C20 | C22 | C19 | 0.0° | 0.2° |
| C18 | C20 | C22 | H20 | 180.0° | 180.0° |
| C18 | C20 | C22 | H22 | 180.0° | 180.0° |
| H18 | C18 | C20 | C22 | 179.9° | 180.0° |
| H18 | C18 | C20 | H20 | 0.1° | 0.0° |
| C19 | C22 | C20 | H22 | 180.0° | 179.8° |
| C19 | C22 | C20 | H20 | 180.0° | 179.8° |
| C22 | C19 | C21 | C24 | 85.1° | 60.0° |
| C22 | C19 | C21 | C23 | 150.4° | 60.0° |
| C22 | C19 | C21 | H21 | 34.1° | 180.0° |
| C21 | C19 | C22 | C20 | 179.5° | 179.7° |
| C19 | C21 | C24 | C23 | 124.1° | 120.1° |
| C19 | C21 | C24 | H21 | 119.6° | 120.0° |
| C19 | C21 | C23 | H21 | 119.3° | 119.9° |
| C21 | C19 | C22 | H22 | 0.5° | 0.0° |
| C19 | C21 | C23 | C25 | 162.4° | 178.6° |
| C19 | C21 | C23 | H23 | 77.6° | 58.6° |
| C19 | C21 | C23 | H23A | 42.4° | 61.4° |
| C19 | C21 | C24 | C26 | 165.8° | 178.6° |
| C19 | C21 | C24 | H24 | 45.8° | 61.5° |
| C19 | C21 | C24 | H24A | 74.2° | 58.7° |
| H20 | C20 | C22 | H22 | 0.0° | 0.0° |
| C24 | C21 | C23 | H21 | 118.9° | 120.0° |
| C24 | C21 | C23 | C25 | 40.6° | 61.4° |
| C24 | C21 | C23 | H23 | 160.6° | 178.7° |
| C24 | C21 | C23 | H23A | 79.4° | 58.7° |
| C21 | C24 | C26 | H24 | 120.0° | 120.0° |
| C21 | C24 | C26 | H24A | 120.0° | 119.9° |
| C21 | C24 | H24 | H24A | 118.5° | 120.1° |
| C21 | C24 | C26 | N27 | 55.6° | 54.6° |
| C21 | C24 | C26 | H26 | 175.6° | 174.5° |
| C21 | C24 | C26 | H26A | 64.4° | 65.1° |
| C21 | C23 | C25 | H23 | 120.0° | 120.0° |
| C21 | C23 | C25 | H23A | 120.0° | 120.0° |
| C21 | C23 | H23 | H23A | 118.3° | 120.0° |
| C23 | C21 | C24 | C26 | 41.6° | 61.3° |
| C23 | C21 | C24 | H24 | 78.4° | 58.6° |
| C23 | C21 | C24 | H24A | 161.6° | 178.8° |
| C21 | C23 | C25 | N27 | 53.5° | 54.7° |
| C21 | C23 | C25 | H25 | 66.5° | 65.1° |
| C21 | C23 | C25 | H25A | 173.5° | 174.4° |
| H21 | C21 | C23 | C25 | 78.2° | 58.6° |
| H21 | C21 | C23 | H23 | 41.8° | 61.3° |
| H21 | C21 | C23 | H23A | 161.8° | 178.6° |
| H21 | C21 | C24 | C26 | 74.6° | 58.6° |
| H21 | C21 | C24 | H24 | 165.4° | 178.5° |
| H21 | C21 | C24 | H24A | 45.4° | 61.3° |
| C25 | C23 | H23 | H23A | 118.3° | 120.1° |
| C23 | C25 | N27 | H25 | 120.0° | 119.8° |
| C23 | C25 | N27 | H25A | 120.0° | 119.8° |
| C23 | C25 | H25 | H25A | 120.4° | 120.4° |
| C23 | C25 | N27 | C26 | 68.2° | 53.6° |
| C23 | C25 | N27 | S28 | 168.0° | 126.4° |
| H23 | C23 | C25 | N27 | 173.5° | 174.6° |
| H23 | C23 | C25 | H25 | 53.5° | 54.8° |
| H23 | C23 | C25 | H25A | 66.5° | 65.7° |
| H23A | C23 | C25 | N27 | 66.5° | 65.3° |
| H23A | C23 | C25 | H25 | 173.5° | 174.9° |
| H23A | C23 | C25 | H25A | 53.5° | 54.4° |
| C26 | C24 | H24 | H24A | 118.5° | 120.0° |
| C24 | C26 | N27 | C25 | 69.3° | 53.6° |
| C24 | C26 | N27 | H26 | 120.0° | 119.8° |
| C24 | C26 | N27 | H26A | 120.0° | 119.7° |
| C24 | C26 | H26 | H26A | 120.6° | 120.3° |
| C24 | C26 | N27 | S28 | 165.3° | 126.4° |
| H24 | C24 | C26 | N27 | 64.4° | 65.3° |
| H24 | C24 | C26 | H26 | 55.6° | 54.5° |
| H24 | C24 | C26 | H26A | 175.6° | 174.9° |
| H24A | C24 | C26 | N27 | 175.6° | 174.6° |
| H24A | C24 | C26 | H26 | 64.4° | 65.6° |
| H24A | C24 | C26 | H26A | 55.7° | 54.8° |
| N27 | C25 | H25 | H25A | 120.4° | 120.3° |
| C25 | N27 | C26 | S28 | 125.5° | 180.0° |
| C25 | N27 | C26 | H26 | 170.7° | 173.4° |
| C25 | N27 | C26 | H26A | 50.7° | 66.1° |
| C25 | N27 | S28 | O30 | 37.1° | 26.0° |
| C25 | N27 | S28 | O29 | 158.1° | 153.9° |
| C25 | N27 | S28 | C31 | 83.2° | 90.0° |
| H25 | C25 | N27 | C26 | 51.8° | 66.2° |
| H25 | C25 | N27 | S28 | 72.0° | 113.7° |
| H25A | C25 | N27 | C26 | 171.8° | 173.4° |
| H25A | C25 | N27 | S28 | 48.0° | 6.6° |
| N27 | C26 | H26 | H26A | 120.5° | 120.4° |
| C26 | N27 | S28 | O30 | 85.2° | 153.9° |
| C26 | N27 | S28 | O29 | 35.8° | 26.0° |
| C26 | N27 | S28 | C31 | 154.5° | 90.0° |
| H26 | C26 | N27 | S28 | 45.2° | 6.7° |
| H26A | C26 | N27 | S28 | 74.7° | 113.8° |
| N27 | S28 | O30 | O29 | 120.2° | 116.8° |
| N27 | S28 | O30 | C31 | 121.1° | 111.7° |
| N27 | S28 | O29 | C31 | 119.5° | 111.7° |
| N27 | S28 | C31 | H31 | 180.0° | 60.0° |
| N27 | S28 | C31 | H31A | 60.0° | 180.0° |
| N27 | S28 | C31 | H31B | 60.0° | 60.1° |
| O30 | S28 | O29 | C31 | 118.7° | 131.5° |
| O30 | S28 | C31 | H31 | 58.0° | 171.7° |
| O30 | S28 | C31 | H31A | 62.0° | 68.4° |
| O30 | S28 | C31 | H31B | 178.0° | 51.6° |
| O29 | S28 | C31 | H31 | 61.4° | 51.6° |
| O29 | S28 | C31 | H31A | 178.6° | 68.4° |
| O29 | S28 | C31 | H31B | 58.6° | 171.7° |
| S28 | C31 | H31 | H31A | 120.0° | 120.0° |
| S28 | C31 | H31 | H31B | 120.0° | 120.0° |
| S28 | C31 | H31A | H31B | 120.0° | 119.9° |
| H31 | C31 | H31A | H31B | 120.0° | 120.1° |
