A1H9B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| O7 | C32 | doub | 1.21Å | 1.29Å | |
| O6 | C32 | sing | 1.34Å | 1.21Å | |
| C32 | C15 | sing | 1.51Å | 1.55Å | |
| C2 | C1 | sing | 1.48Å | 1.47Å | |
| C2 | C7 | sing | 1.40Å | 1.35Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C10 | sing | 1.48Å | 1.49Å | |
| N1 | C1 | sing | 1.35Å | 1.35Å | |
| N1 | C15 | sing | 1.46Å | 1.46Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C7 | C8 | sing | 1.48Å | 1.46Å | |
| O2 | C10 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | sing | 1.48Å | 1.50Å | |
| C8 | C9 | doub | 1.41Å | 1.38Å | Aromatic |
| C8 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C31 | sing | 1.51Å | 1.49Å | |
| C30 | O4 | sing | 1.43Å | 1.43Å | |
| O4 | C27 | sing | 1.36Å | 1.37Å | |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C22 | sing | 1.51Å | 1.52Å | |
| C31 | N2 | sing | 1.47Å | 1.47Å | |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| N2 | C23 | sing | 1.47Å | 1.45Å | |
| N2 | S1 | sing | 1.66Å | 1.60Å | |
| C25 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | S1 | sing | 1.76Å | 1.73Å | |
| S1 | O5 | doub | 1.42Å | 1.41Å | |
| S1 | O3 | doub | 1.42Å | 1.37Å | |
| C5 | HC5 | sing | 1.08Å | 1.08Å | |
| C3 | HC3 | sing | 1.08Å | 1.08Å | |
| C11 | HC11 | sing | 1.08Å | 1.08Å | |
| C12 | HC12 | sing | 1.08Å | 1.08Å | |
| C15 | HC15 | sing | 1.09Å | 1.10Å | |
| C20 | HC20 | sing | 1.08Å | 1.08Å | |
| C13 | HC13 | sing | 1.08Å | 1.08Å | |
| C14 | HC14 | sing | 1.08Å | 1.08Å | |
| C17 | HC17 | sing | 1.08Å | 1.08Å | |
| C21 | HC21 | sing | 1.08Å | 1.08Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | HC25 | sing | 1.08Å | 1.08Å | |
| C26 | HC26 | sing | 1.08Å | 1.08Å | |
| C28 | HC28 | sing | 1.08Å | 1.08Å | |
| C29 | HC29 | sing | 1.08Å | 1.08Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C4 | HC4 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O6 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 118.6° | 120.5° |
| C4 | C3 | C2 | 120.7° | 120.3° |
| C4 | C3 | HC3 | 119.7° | 119.9° |
| C3 | C4 | HC4 | 120.7° | 119.8° |
| C4 | C5 | C6 | 120.5° | 120.2° |
| C4 | C5 | HC5 | 119.7° | 119.9° |
| C5 | C4 | HC4 | 120.7° | 119.7° |
| C3 | C2 | C1 | 115.9° | 120.2° |
| C3 | C2 | C7 | 120.8° | 119.7° |
| C2 | C3 | HC3 | 119.7° | 119.8° |
| C5 | C6 | C7 | 121.1° | 120.0° |
| C5 | C6 | C10 | 130.9° | 132.2° |
| C6 | C5 | HC5 | 119.8° | 119.9° |
| O7 | C32 | O6 | 125.3° | 120.0° |
| O7 | C32 | C15 | 117.6° | 120.0° |
| O6 | C32 | C15 | 117.1° | 120.0° |
| C32 | O6 | H1 | 109.5° | 117.0° |
| C32 | C15 | N1 | 106.6° | 109.5° |
| C32 | C15 | C16 | 107.3° | 109.5° |
| C32 | C15 | HC15 | 109.0° | 109.4° |
| C1 | C2 | C7 | 123.3° | 120.1° |
| C2 | C1 | N1 | 115.6° | 120.0° |
| C2 | C1 | O1 | 118.6° | 120.0° |
| C2 | C7 | C6 | 118.4° | 119.4° |
| C2 | C7 | C8 | 133.2° | 131.9° |
| C7 | C6 | C10 | 108.1° | 107.8° |
| C6 | C7 | C8 | 108.4° | 108.7° |
| C6 | C10 | O2 | 125.7° | 126.5° |
| C6 | C10 | C9 | 105.5° | 107.0° |
| C1 | N1 | C15 | 126.3° | 120.0° |
| N1 | C1 | O1 | 125.8° | 120.0° |
| C1 | N1 | HN1 | 116.9° | 120.0° |
| N1 | C15 | C16 | 113.9° | 109.5° |
| N1 | C15 | HC15 | 110.3° | 109.5° |
| C15 | N1 | HN1 | 116.9° | 120.0° |
| C7 | C8 | C9 | 110.1° | 108.6° |
| C7 | C8 | C14 | 131.3° | 131.9° |
| O2 | C10 | C9 | 128.8° | 126.5° |
| C15 | C16 | C21 | 120.5° | 120.2° |
| C15 | C16 | C17 | 122.4° | 120.1° |
| C16 | C15 | HC15 | 109.5° | 109.5° |
| C10 | C9 | C8 | 107.9° | 107.8° |
| C10 | C9 | C11 | 129.7° | 132.3° |
| C9 | C8 | C14 | 118.6° | 119.5° |
| C8 | C9 | C11 | 122.5° | 119.9° |
| C8 | C14 | C13 | 120.1° | 120.0° |
| C8 | C14 | HC14 | 120.0° | 120.0° |
| C21 | C16 | C17 | 117.0° | 119.7° |
| C16 | C21 | C20 | 121.4° | 119.9° |
| C16 | C21 | HC21 | 119.3° | 120.1° |
| C16 | C17 | C18 | 122.3° | 120.5° |
| C16 | C17 | HC17 | 118.8° | 119.7° |
| C9 | C11 | C12 | 118.9° | 119.9° |
| C9 | C11 | HC11 | 120.5° | 120.0° |
| C21 | C20 | C19 | 121.1° | 120.6° |
| C21 | C20 | HC20 | 119.4° | 119.7° |
| C20 | C21 | HC21 | 119.3° | 120.1° |
| C17 | C18 | C19 | 120.5° | 119.8° |
| C17 | C18 | C31 | 117.9° | 117.8° |
| C18 | C17 | HC17 | 118.9° | 119.8° |
| C14 | C13 | C12 | 120.0° | 120.4° |
| C14 | C13 | HC13 | 120.0° | 119.8° |
| C13 | C14 | HC14 | 120.0° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.3° |
| C12 | C11 | HC11 | 120.5° | 120.1° |
| C11 | C12 | HC12 | 120.0° | 119.9° |
| C20 | C19 | C18 | 117.6° | 119.5° |
| C20 | C19 | C22 | 123.4° | 117.6° |
| C19 | C20 | HC20 | 119.4° | 119.7° |
| C19 | C18 | C31 | 121.6° | 122.3° |
| C18 | C19 | C22 | 119.0° | 122.9° |
| C18 | C31 | N2 | 113.1° | 109.7° |
| C18 | C31 | H312 | 108.6° | 109.5° |
| C18 | C31 | H311 | 108.5° | 109.4° |
| C30 | O4 | C27 | 118.6° | 117.0° |
| O4 | C30 | H302 | 109.5° | 109.5° |
| O4 | C30 | H301 | 109.4° | 109.5° |
| O4 | C30 | H303 | 109.5° | 109.5° |
| O4 | C27 | C28 | 120.0° | 120.1° |
| O4 | C27 | C26 | 120.6° | 120.0° |
| C13 | C12 | HC12 | 120.0° | 119.9° |
| C12 | C13 | HC13 | 120.0° | 119.8° |
| C19 | C22 | C23 | 112.6° | 110.9° |
| C19 | C22 | H222 | 108.7° | 109.2° |
| C19 | C22 | H221 | 108.7° | 109.3° |
| C31 | N2 | C23 | 113.5° | 117.3° |
| C31 | N2 | S1 | 120.7° | 121.3° |
| N2 | C31 | H312 | 108.5° | 109.5° |
| N2 | C31 | H311 | 108.5° | 109.4° |
| C28 | C27 | C26 | 119.4° | 119.9° |
| C27 | C28 | C29 | 119.6° | 119.9° |
| C27 | C28 | HC28 | 120.2° | 120.0° |
| C27 | C26 | C25 | 121.2° | 119.9° |
| C27 | C26 | HC26 | 119.4° | 120.1° |
| C28 | C29 | C24 | 120.1° | 120.1° |
| C29 | C28 | HC28 | 120.2° | 120.0° |
| C28 | C29 | HC29 | 120.0° | 120.0° |
| C26 | C25 | C24 | 118.9° | 120.0° |
| C26 | C25 | HC25 | 120.6° | 120.0° |
| C25 | C26 | HC26 | 119.4° | 120.0° |
| C29 | C24 | C25 | 120.8° | 120.1° |
| C29 | C24 | S1 | 119.4° | 120.0° |
| C24 | C29 | HC29 | 119.9° | 119.9° |
| C22 | C23 | N2 | 107.6° | 107.9° |
| C23 | C22 | H222 | 108.7° | 109.2° |
| C23 | C22 | H221 | 108.7° | 109.2° |
| C22 | C23 | H232 | 110.0° | 109.8° |
| C22 | C23 | H231 | 109.9° | 109.8° |
| C23 | N2 | S1 | 122.3° | 121.4° |
| N2 | C23 | H232 | 109.9° | 109.7° |
| N2 | C23 | H231 | 109.9° | 109.9° |
| N2 | S1 | C24 | 104.5° | 107.2° |
| N2 | S1 | O5 | 105.5° | 106.4° |
| N2 | S1 | O3 | 109.7° | 106.4° |
| C25 | C24 | S1 | 119.8° | 119.9° |
| C24 | C25 | HC25 | 120.5° | 120.0° |
| C24 | S1 | O5 | 107.4° | 106.4° |
| C24 | S1 | O3 | 111.4° | 106.4° |
| O5 | S1 | O3 | 117.5° | 123.2° |
| H222 | C22 | H221 | 109.5° | 109.1° |
| H232 | C23 | H231 | 109.5° | 109.7° |
| H302 | C30 | H301 | 109.4° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.4° |
| H301 | C30 | H303 | 109.5° | 109.4° |
| H312 | C31 | H311 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | HC4 | 180.0° | 179.6° |
| C4 | C3 | C2 | HC3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.5° |
| C4 | C3 | C2 | C1 | 179.1° | 180.0° |
| C4 | C3 | C2 | C7 | 0.1° | 0.1° |
| C3 | C4 | C5 | HC5 | 179.9° | 179.7° |
| C5 | C4 | C3 | C2 | 0.0° | 0.4° |
| C4 | C5 | C6 | HC5 | 180.0° | 179.8° |
| C4 | C5 | C6 | C7 | 0.0° | 0.2° |
| C4 | C5 | C6 | C10 | 179.4° | 179.9° |
| C5 | C4 | C3 | HC3 | 179.9° | 179.6° |
| C3 | C2 | C1 | C7 | 179.2° | 179.9° |
| C3 | C2 | C7 | C6 | 0.2° | 0.3° |
| C3 | C2 | C1 | N1 | 75.8° | 46.7° |
| C3 | C2 | C1 | O1 | 104.8° | 133.6° |
| C3 | C2 | C7 | C8 | 179.9° | 180.0° |
| C2 | C3 | C4 | HC4 | 179.9° | 179.9° |
| C5 | C6 | C7 | C2 | 0.2° | 0.2° |
| C5 | C6 | C7 | C10 | 179.5° | 180.0° |
| C5 | C6 | C7 | C8 | 179.9° | 180.0° |
| C5 | C6 | C10 | O2 | 0.4° | 0.0° |
| C5 | C6 | C10 | C9 | 180.0° | 179.8° |
| C6 | C5 | C4 | HC4 | 179.9° | 179.9° |
| O7 | C32 | O6 | C15 | 179.4° | 179.9° |
| O7 | C32 | C15 | N1 | 45.1° | 0.0° |
| O7 | C32 | C15 | C16 | 77.3° | 120.0° |
| O7 | C32 | C15 | HC15 | 164.2° | 120.0° |
| O7 | C32 | O6 | H1 | 0.0° | 0.0° |
| O6 | C32 | C15 | N1 | 134.3° | 180.0° |
| O6 | C32 | C15 | C16 | 103.3° | 59.9° |
| O6 | C32 | C15 | HC15 | 15.2° | 60.1° |
| C32 | C15 | N1 | C1 | 144.0° | 85.0° |
| C32 | C15 | N1 | C16 | 118.2° | 120.0° |
| C32 | C15 | N1 | HC15 | 118.2° | 120.0° |
| C32 | C15 | C16 | HC15 | 118.2° | 120.0° |
| C32 | C15 | C16 | C21 | 63.9° | 80.0° |
| C32 | C15 | C16 | C17 | 116.5° | 99.8° |
| C32 | C15 | N1 | HN1 | 36.0° | 95.0° |
| C15 | C32 | O6 | H1 | 179.4° | 179.9° |
| C1 | C2 | C7 | C6 | 178.9° | 179.7° |
| C2 | C1 | N1 | O1 | 179.4° | 179.7° |
| C2 | C1 | N1 | C15 | 179.4° | 179.7° |
| C1 | C2 | C7 | C8 | 0.9° | 0.0° |
| C1 | C2 | C3 | HC3 | 0.9° | 0.1° |
| C2 | C1 | N1 | HN1 | 0.6° | 0.3° |
| C2 | C7 | C6 | C8 | 179.9° | 179.8° |
| C2 | C7 | C6 | C10 | 179.7° | 179.8° |
| C7 | C2 | C1 | N1 | 103.4° | 133.3° |
| C7 | C2 | C1 | O1 | 76.0° | 46.4° |
| C2 | C7 | C8 | C9 | 180.0° | 180.0° |
| C2 | C7 | C8 | C14 | 0.5° | 0.0° |
| C7 | C2 | C3 | HC3 | 179.9° | 180.0° |
| C7 | C6 | C10 | O2 | 179.9° | 180.0° |
| C7 | C6 | C10 | C9 | 0.5° | 0.3° |
| C6 | C7 | C8 | C9 | 0.1° | 0.3° |
| C6 | C7 | C8 | C14 | 179.6° | 179.8° |
| C7 | C6 | C5 | HC5 | 180.0° | 180.0° |
| C10 | C6 | C7 | C8 | 0.4° | 0.0° |
| C6 | C10 | O2 | C9 | 179.5° | 179.7° |
| C6 | C10 | C9 | C8 | 0.5° | 0.4° |
| C6 | C10 | C9 | C11 | 180.0° | 180.0° |
| C10 | C6 | C5 | HC5 | 0.6° | 0.1° |
| C1 | N1 | C15 | HN1 | 180.0° | 180.0° |
| C1 | N1 | C15 | C16 | 97.9° | 155.0° |
| C1 | N1 | C15 | HC15 | 25.7° | 35.0° |
| C15 | N1 | C1 | O1 | 1.2° | 0.0° |
| N1 | C15 | C16 | HC15 | 124.0° | 120.0° |
| N1 | C15 | C16 | C21 | 178.3° | 40.0° |
| N1 | C15 | C16 | C17 | 1.3° | 140.2° |
| O1 | C1 | N1 | HN1 | 178.8° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.4° |
| C7 | C8 | C9 | C14 | 179.6° | 180.0° |
| C7 | C8 | C9 | C11 | 179.8° | 180.0° |
| C7 | C8 | C14 | C13 | 179.8° | 180.0° |
| C7 | C8 | C14 | HC14 | 0.2° | 0.0° |
| O2 | C10 | C9 | C8 | 180.0° | 179.8° |
| O2 | C10 | C9 | C11 | 0.4° | 0.3° |
| C15 | C16 | C21 | C17 | 179.6° | 179.8° |
| C15 | C16 | C21 | C20 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 179.2° | 180.0° |
| C15 | C16 | C17 | HC17 | 0.8° | 0.2° |
| C15 | C16 | C21 | HC21 | 0.0° | 0.5° |
| C16 | C15 | N1 | HN1 | 82.1° | 25.0° |
| C10 | C9 | C8 | C11 | 179.6° | 179.6° |
| C10 | C9 | C8 | C14 | 179.4° | 179.6° |
| C10 | C9 | C11 | C12 | 179.6° | 179.5° |
| C10 | C9 | C11 | HC11 | 0.4° | 0.5° |
| C9 | C8 | C14 | C13 | 0.3° | 0.1° |
| C8 | C9 | C11 | C12 | 0.2° | 0.0° |
| C8 | C9 | C11 | HC11 | 179.8° | 180.0° |
| C9 | C8 | C14 | HC14 | 179.7° | 180.0° |
| C14 | C8 | C9 | C11 | 0.2° | 0.0° |
| C8 | C14 | C13 | HC14 | 180.0° | 180.0° |
| C8 | C14 | C13 | C12 | 0.0° | 0.1° |
| C8 | C14 | C13 | HC13 | 180.0° | 180.0° |
| C16 | C21 | C20 | HC21 | 180.0° | 179.7° |
| C21 | C16 | C17 | C18 | 1.2° | 0.2° |
| C16 | C21 | C20 | C19 | 0.1° | 0.0° |
| C21 | C16 | C15 | HC15 | 54.3° | 160.0° |
| C16 | C21 | C20 | HC20 | 179.9° | 180.0° |
| C21 | C16 | C17 | HC17 | 178.8° | 180.0° |
| C17 | C16 | C21 | C20 | 0.4° | 0.1° |
| C16 | C17 | C18 | HC17 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 1.7° | 0.4° |
| C16 | C17 | C18 | C31 | 179.6° | 179.4° |
| C17 | C16 | C15 | HC15 | 125.3° | 20.2° |
| C17 | C16 | C21 | HC21 | 179.6° | 179.8° |
| C9 | C11 | C12 | HC11 | 180.0° | 180.0° |
| C9 | C11 | C12 | C13 | 0.5° | 0.1° |
| C9 | C11 | C12 | HC12 | 179.5° | 180.0° |
| C21 | C20 | C19 | HC20 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.5° | 0.2° |
| C21 | C20 | C19 | C22 | 179.9° | 179.6° |
| C17 | C18 | C19 | C20 | 1.3° | 0.3° |
| C17 | C18 | C19 | C31 | 177.9° | 179.7° |
| C17 | C18 | C19 | C22 | 179.3° | 179.4° |
| C17 | C18 | C31 | N2 | 167.9° | 169.1° |
| C17 | C18 | C31 | H312 | 71.5° | 70.8° |
| C17 | C18 | C31 | H311 | 47.4° | 49.1° |
| C14 | C13 | C12 | C11 | 0.4° | 0.1° |
| C14 | C13 | C12 | HC13 | 180.0° | 179.9° |
| C14 | C13 | C12 | HC12 | 179.6° | 180.0° |
| C11 | C12 | C13 | HC12 | 180.0° | 179.9° |
| C11 | C12 | C13 | HC13 | 179.6° | 180.0° |
| C20 | C19 | C18 | C22 | 179.4° | 179.8° |
| C20 | C19 | C18 | C31 | 179.2° | 179.4° |
| C20 | C19 | C22 | C23 | 159.5° | 160.5° |
| C19 | C20 | C21 | HC21 | 179.9° | 179.7° |
| C20 | C19 | C22 | H222 | 80.0° | 79.2° |
| C20 | C19 | C22 | H221 | 39.0° | 40.1° |
| C19 | C18 | C31 | N2 | 10.0° | 11.2° |
| C18 | C19 | C22 | C23 | 19.9° | 19.7° |
| C18 | C19 | C20 | HC20 | 179.5° | 179.9° |
| C19 | C18 | C17 | HC17 | 178.3° | 179.8° |
| C18 | C19 | C22 | H222 | 100.6° | 100.6° |
| C18 | C19 | C22 | H221 | 140.3° | 140.1° |
| C19 | C18 | C31 | H312 | 110.5° | 108.9° |
| C19 | C18 | C31 | H311 | 130.5° | 131.2° |
| C31 | C18 | C19 | C22 | 1.4° | 0.9° |
| C18 | C31 | N2 | H312 | 120.6° | 120.1° |
| C18 | C31 | N2 | H311 | 120.5° | 120.0° |
| C18 | C31 | N2 | C23 | 45.2° | 44.4° |
| C18 | C31 | N2 | S1 | 155.4° | 135.6° |
| C31 | C18 | C17 | HC17 | 0.4° | 0.5° |
| C18 | C31 | H312 | H311 | 118.3° | 119.8° |
| C30 | O4 | C27 | C28 | 177.3° | 180.0° |
| C30 | O4 | C27 | C26 | 3.3° | 0.2° |
| O4 | C30 | H302 | H301 | 120.0° | 120.0° |
| O4 | C30 | H302 | H303 | 120.0° | 120.1° |
| O4 | C30 | H301 | H303 | 120.0° | 120.1° |
| O4 | C27 | C28 | C26 | 179.4° | 179.8° |
| O4 | C27 | C28 | C29 | 179.6° | 180.0° |
| O4 | C27 | C26 | C25 | 179.7° | 179.7° |
| O4 | C27 | C26 | HC26 | 0.3° | 0.2° |
| O4 | C27 | C28 | HC28 | 0.4° | 0.2° |
| C27 | O4 | C30 | H302 | 180.0° | 60.0° |
| C27 | O4 | C30 | H301 | 60.0° | 60.0° |
| C27 | O4 | C30 | H303 | 60.0° | 180.0° |
| C13 | C12 | C11 | HC11 | 179.6° | 180.0° |
| C12 | C13 | C14 | HC14 | 180.0° | 179.9° |
| C19 | C22 | C23 | H222 | 120.5° | 120.3° |
| C19 | C22 | C23 | H221 | 120.5° | 120.4° |
| C19 | C22 | C23 | N2 | 51.8° | 47.4° |
| C22 | C19 | C20 | HC20 | 0.1° | 0.3° |
| C19 | C22 | H222 | H221 | 118.6° | 119.4° |
| C19 | C22 | C23 | H232 | 171.4° | 167.0° |
| C19 | C22 | C23 | H231 | 68.0° | 72.3° |
| C31 | N2 | C23 | C22 | 66.4° | 64.4° |
| C31 | N2 | C23 | S1 | 159.0° | 180.0° |
| C31 | N2 | S1 | C24 | 50.8° | 90.0° |
| C31 | N2 | S1 | O5 | 62.3° | 156.5° |
| C31 | N2 | S1 | O3 | 170.3° | 23.5° |
| C31 | N2 | C23 | H232 | 173.9° | 176.0° |
| C31 | N2 | C23 | H231 | 53.4° | 55.3° |
| N2 | C31 | H312 | H311 | 118.3° | 119.9° |
| C27 | C28 | C29 | HC28 | 180.0° | 179.8° |
| C28 | C27 | C26 | C25 | 0.9° | 0.0° |
| C27 | C28 | C29 | C24 | 0.9° | 0.5° |
| C28 | C27 | C26 | HC26 | 179.1° | 180.0° |
| C27 | C28 | C29 | HC29 | 179.1° | 180.0° |
| C26 | C27 | C28 | C29 | 1.0° | 0.2° |
| C27 | C26 | C25 | HC26 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.6° | 0.0° |
| C27 | C26 | C25 | HC25 | 179.4° | 179.9° |
| C26 | C27 | C28 | HC28 | 179.0° | 180.0° |
| C28 | C29 | C24 | HC29 | 180.0° | 179.5° |
| C28 | C29 | C24 | C25 | 0.6° | 0.6° |
| C28 | C29 | C24 | S1 | 179.3° | 179.7° |
| C26 | C25 | C24 | C29 | 0.5° | 0.3° |
| C26 | C25 | C24 | HC25 | 180.0° | 179.9° |
| C26 | C25 | C24 | S1 | 179.5° | 180.0° |
| C29 | C24 | S1 | N2 | 104.2° | 90.3° |
| C29 | C24 | C25 | S1 | 180.0° | 179.7° |
| C29 | C24 | S1 | O5 | 7.5° | 156.2° |
| C29 | C24 | S1 | O3 | 137.5° | 23.2° |
| C29 | C24 | C25 | HC25 | 179.5° | 179.8° |
| C24 | C29 | C28 | HC28 | 179.1° | 179.7° |
| C22 | C23 | N2 | H232 | 119.7° | 119.6° |
| C22 | C23 | N2 | H231 | 119.7° | 119.6° |
| C22 | C23 | N2 | S1 | 134.6° | 115.6° |
| C23 | C22 | H222 | H221 | 118.5° | 119.3° |
| C22 | C23 | H232 | H231 | 120.9° | 120.7° |
| C23 | N2 | S1 | C24 | 106.7° | 90.0° |
| C23 | N2 | S1 | O5 | 140.2° | 23.5° |
| C23 | N2 | S1 | O3 | 12.8° | 156.5° |
| N2 | C23 | C22 | H222 | 68.7° | 72.9° |
| N2 | C23 | C22 | H221 | 172.2° | 167.8° |
| N2 | C23 | H232 | H231 | 120.8° | 120.8° |
| C23 | N2 | C31 | H312 | 75.4° | 75.7° |
| C23 | N2 | C31 | H311 | 165.7° | 164.4° |
| N2 | S1 | C24 | C25 | 75.8° | 90.0° |
| N2 | S1 | C24 | O5 | 111.7° | 113.5° |
| N2 | S1 | C24 | O3 | 118.4° | 113.5° |
| N2 | S1 | O5 | O3 | 122.5° | 123.0° |
| S1 | N2 | C23 | H232 | 14.9° | 4.0° |
| S1 | N2 | C23 | H231 | 105.7° | 124.7° |
| S1 | N2 | C31 | H312 | 84.0° | 104.3° |
| S1 | N2 | C31 | H311 | 34.9° | 15.6° |
| C25 | C24 | S1 | O5 | 172.5° | 23.5° |
| C25 | C24 | S1 | O3 | 42.5° | 156.5° |
| C24 | C25 | C26 | HC26 | 179.4° | 180.0° |
| C25 | C24 | C29 | HC29 | 179.4° | 180.0° |
| C24 | S1 | O5 | O3 | 126.4° | 122.9° |
| S1 | C24 | C25 | HC25 | 0.5° | 0.1° |
| S1 | C24 | C29 | HC29 | 0.7° | 0.3° |
| HC5 | C5 | C4 | HC4 | 0.1° | 0.1° |
| HC3 | C3 | C4 | HC4 | 0.1° | 0.0° |
| HC11 | C11 | C12 | HC12 | 0.5° | 0.1° |
| HC12 | C12 | C13 | HC13 | 0.4° | 0.1° |
| HC15 | C15 | N1 | HN1 | 154.3° | 145.0° |
| HC20 | C20 | C21 | HC21 | 0.1° | 0.3° |
| HC13 | C13 | C14 | HC14 | 0.0° | 0.0° |
| H222 | C22 | C23 | H232 | 51.0° | 46.7° |
| H222 | C22 | C23 | H231 | 171.6° | 167.4° |
| H221 | C22 | C23 | H232 | 68.1° | 72.6° |
| H221 | C22 | C23 | H231 | 52.5° | 48.1° |
| HC25 | C25 | C26 | HC26 | 0.6° | 0.0° |
| HC28 | C28 | C29 | HC29 | 0.9° | 0.3° |
| H302 | C30 | H301 | H303 | 120.0° | 119.9° |
