A1I09
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C5 | sing | 1.53Å | 1.52Å | |
| C1 | O4 | sing | 1.43Å | 1.40Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | N1 | sing | 1.35Å | 1.49Å | |
| C10 | O9 | doub | 1.21Å | 1.18Å | |
| C11 | C12 | sing | 1.54Å | 1.50Å | |
| C11 | N2 | sing | 1.48Å | 1.45Å | |
| C12 | C13 | sing | 1.55Å | 1.50Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C13 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | N2 | sing | 1.48Å | 1.48Å | |
| C15 | N2 | sing | 1.47Å | 1.42Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O6 | sing | 1.43Å | 1.39Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O7 | sing | 1.43Å | 1.39Å | |
| C4 | C7 | sing | 1.53Å | 1.52Å | |
| C4 | O5 | sing | 1.43Å | 1.40Å | |
| C5 | O5 | sing | 1.43Å | 1.40Å | |
| C5 | S1 | sing | 1.81Å | 1.83Å | |
| C6 | S1 | sing | 1.81Å | 1.83Å | |
| C6 | C19 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C7 | N1 | sing | 1.46Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | CL1 | sing | 1.80Å | 1.79Å | |
| O2 | C19 | sing | 1.45Å | 1.41Å | |
| O2 | C20 | sing | 1.35Å | 1.41Å | |
| O3 | C20 | doub | 1.21Å | 1.18Å | |
| C20 | C21 | sing | 1.47Å | 1.55Å | |
| C21 | C22 | doub | 1.40Å | 1.32Å | Aromatic |
| C21 | C26 | sing | 1.40Å | 1.53Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.54Å | Aromatic |
| C22 | O10 | sing | 1.36Å | 1.40Å | |
| C23 | C24 | doub | 1.38Å | 1.32Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.53Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.32Å | Aromatic |
| C4 | HC | sing | 1.09Å | 1.10Å | |
| C5 | HC3 | sing | 1.09Å | 1.10Å | |
| C6 | HC4 | sing | 1.09Å | 1.10Å | |
| C6 | HC5 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | HC11 | sing | 1.09Å | 1.10Å | |
| C15 | HC31 | sing | 1.09Å | 1.10Å | |
| C15 | HC32 | sing | 1.09Å | 1.10Å | |
| C15 | HC33 | sing | 1.09Å | 1.10Å | |
| C24 | HC21 | sing | 1.08Å | 1.08Å | |
| C26 | HC23 | sing | 1.08Å | 1.08Å | |
| C9 | HC26 | sing | 1.09Å | 1.10Å | |
| C9 | HC27 | sing | 1.09Å | 1.10Å | |
| C9 | HC25 | sing | 1.09Å | 1.10Å | |
| C18 | HC30 | sing | 1.09Å | 1.10Å | |
| C18 | HC29 | sing | 1.09Å | 1.10Å | |
| C18 | HC28 | sing | 1.09Å | 1.10Å | |
| C16 | HC16 | sing | 1.09Å | 1.10Å | |
| C16 | HC15 | sing | 1.09Å | 1.10Å | |
| C12 | HC9 | sing | 1.09Å | 1.10Å | |
| C12 | HC10 | sing | 1.09Å | 1.10Å | |
| C23 | HC24 | sing | 1.08Å | 1.08Å | |
| C25 | HC22 | sing | 1.08Å | 1.08Å | |
| C1 | HC18 | sing | 1.09Å | 1.10Å | |
| C2 | HC17 | sing | 1.09Å | 1.10Å | |
| C3 | HC12 | sing | 1.09Å | 1.10Å | |
| C11 | HC6 | sing | 1.09Å | 1.10Å | |
| C14 | HC1 | sing | 1.09Å | 1.10Å | |
| C14 | HC2 | sing | 1.09Å | 1.10Å | |
| C17 | HC13 | sing | 1.09Å | 1.10Å | |
| C17 | HC14 | sing | 1.09Å | 1.10Å | |
| C19 | HC20 | sing | 1.09Å | 1.10Å | |
| C19 | HC19 | sing | 1.09Å | 1.10Å | |
| C7 | HC7 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O10 | H9 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 111.7° | 109.1° |
| C2 | C1 | O4 | 107.2° | 109.5° |
| C1 | C2 | C3 | 110.7° | 109.0° |
| C1 | C2 | O6 | 107.9° | 109.6° |
| C2 | C1 | HC18 | 109.3° | 109.5° |
| C1 | C2 | HC17 | 109.5° | 109.5° |
| C5 | C1 | O4 | 108.4° | 109.5° |
| C1 | C5 | O5 | 111.3° | 109.4° |
| C1 | C5 | S1 | 109.6° | 109.5° |
| C1 | C5 | HC3 | 109.1° | 109.6° |
| C5 | C1 | HC18 | 109.3° | 109.5° |
| O4 | C1 | HC18 | 110.9° | 109.6° |
| C1 | O4 | HO4 | 109.5° | 114.0° |
| C11 | C10 | N1 | 120.8° | 120.0° |
| C11 | C10 | O9 | 119.7° | 120.0° |
| C10 | C11 | C12 | 110.3° | 109.9° |
| C10 | C11 | N2 | 108.9° | 109.9° |
| C10 | C11 | HC6 | 109.7° | 109.9° |
| N1 | C10 | O9 | 119.5° | 120.0° |
| C10 | N1 | C7 | 118.9° | 120.0° |
| C10 | N1 | HN1 | 120.6° | 120.0° |
| C12 | C11 | N2 | 107.0° | 107.2° |
| C11 | C12 | C13 | 103.7° | 103.0° |
| C11 | C12 | HC9 | 110.9° | 110.7° |
| C11 | C12 | HC10 | 110.9° | 110.8° |
| C12 | C11 | HC6 | 110.2° | 109.9° |
| C11 | N2 | C14 | 105.5° | 108.6° |
| C11 | N2 | C15 | 111.0° | 111.0° |
| N2 | C11 | HC6 | 110.8° | 110.0° |
| C12 | C13 | C14 | 107.7° | 101.7° |
| C12 | C13 | C16 | 110.2° | 111.0° |
| C12 | C13 | HC11 | 109.8° | 111.0° |
| C13 | C12 | HC9 | 110.9° | 110.7° |
| C13 | C12 | HC10 | 110.9° | 110.7° |
| C14 | C13 | C16 | 110.3° | 111.0° |
| C13 | C14 | N2 | 100.7° | 104.8° |
| C14 | C13 | HC11 | 109.6° | 111.0° |
| C13 | C14 | HC1 | 111.6° | 110.4° |
| C13 | C14 | HC2 | 111.6° | 110.4° |
| C13 | C16 | C17 | 108.6° | 109.5° |
| C16 | C13 | HC11 | 109.3° | 110.9° |
| C13 | C16 | HC16 | 109.7° | 109.5° |
| C13 | C16 | HC15 | 109.7° | 109.5° |
| C14 | N2 | C15 | 110.7° | 111.0° |
| N2 | C14 | HC1 | 111.6° | 110.4° |
| N2 | C14 | HC2 | 111.6° | 110.4° |
| N2 | C15 | HC31 | 109.5° | 109.4° |
| N2 | C15 | HC32 | 109.5° | 109.5° |
| N2 | C15 | HC33 | 109.5° | 109.5° |
| C16 | C17 | C18 | 109.7° | 109.5° |
| C17 | C16 | HC16 | 109.7° | 109.5° |
| C17 | C16 | HC15 | 109.7° | 109.5° |
| C16 | C17 | HC13 | 109.4° | 109.5° |
| C16 | C17 | HC14 | 109.4° | 109.5° |
| C17 | C18 | HC30 | 109.5° | 109.5° |
| C17 | C18 | HC29 | 109.4° | 109.5° |
| C17 | C18 | HC28 | 109.5° | 109.5° |
| C18 | C17 | HC13 | 109.4° | 109.4° |
| C18 | C17 | HC14 | 109.4° | 109.4° |
| C3 | C2 | O6 | 108.4° | 109.5° |
| C2 | C3 | C4 | 108.2° | 109.1° |
| C2 | C3 | O7 | 107.6° | 109.5° |
| C3 | C2 | HC17 | 109.3° | 109.6° |
| C2 | C3 | HC12 | 109.7° | 109.5° |
| O6 | C2 | HC17 | 111.1° | 109.6° |
| C2 | O6 | HO6 | 109.5° | 114.0° |
| C4 | C3 | O7 | 109.7° | 109.5° |
| C3 | C4 | C7 | 109.8° | 109.5° |
| C3 | C4 | O5 | 108.3° | 109.4° |
| C3 | C4 | HC | 109.2° | 109.5° |
| C4 | C3 | HC12 | 109.8° | 109.6° |
| O7 | C3 | HC12 | 111.8° | 109.6° |
| C3 | O7 | HO7 | 109.5° | 114.0° |
| C7 | C4 | O5 | 109.5° | 109.5° |
| C4 | C7 | C8 | 109.1° | 109.5° |
| C4 | C7 | N1 | 108.9° | 109.5° |
| C7 | C4 | HC | 109.1° | 109.5° |
| C4 | C7 | HC7 | 109.7° | 109.5° |
| C4 | O5 | C5 | 116.2° | 114.0° |
| O5 | C4 | HC | 110.9° | 109.4° |
| O5 | C5 | S1 | 110.1° | 109.4° |
| O5 | C5 | HC3 | 110.7° | 109.5° |
| C5 | S1 | C6 | 106.9° | 103.0° |
| S1 | C5 | HC3 | 105.7° | 109.5° |
| S1 | C6 | C19 | 109.3° | 109.4° |
| S1 | C6 | HC4 | 109.5° | 109.5° |
| S1 | C6 | HC5 | 109.5° | 109.5° |
| C6 | C19 | O2 | 107.3° | 109.4° |
| C19 | C6 | HC4 | 109.5° | 109.5° |
| C19 | C6 | HC5 | 109.5° | 109.5° |
| C6 | C19 | HC20 | 110.0° | 109.5° |
| C6 | C19 | HC19 | 110.0° | 109.5° |
| C8 | C7 | N1 | 108.5° | 109.5° |
| C7 | C8 | C9 | 108.8° | 109.5° |
| C7 | C8 | CL1 | 108.7° | 109.5° |
| C7 | C8 | H8 | 111.2° | 109.5° |
| C8 | C7 | HC7 | 110.0° | 109.5° |
| N1 | C7 | HC7 | 110.5° | 109.5° |
| C7 | N1 | HN1 | 120.6° | 120.0° |
| C9 | C8 | CL1 | 109.6° | 109.5° |
| C9 | C8 | H8 | 110.8° | 109.5° |
| C8 | C9 | HC26 | 109.5° | 109.4° |
| C8 | C9 | HC27 | 109.4° | 109.5° |
| C8 | C9 | HC25 | 109.5° | 109.5° |
| CL1 | C8 | H8 | 107.6° | 109.4° |
| C19 | O2 | C20 | 115.4° | 117.0° |
| O2 | C19 | HC20 | 110.0° | 109.4° |
| O2 | C19 | HC19 | 110.0° | 109.5° |
| O2 | C20 | O3 | 120.0° | 120.0° |
| O2 | C20 | C21 | 119.9° | 120.0° |
| O3 | C20 | C21 | 120.1° | 120.0° |
| C20 | C21 | C22 | 120.4° | 120.2° |
| C20 | C21 | C26 | 119.8° | 120.2° |
| C22 | C21 | C26 | 119.8° | 119.7° |
| C21 | C22 | C23 | 120.1° | 119.7° |
| C21 | C22 | O10 | 120.1° | 120.2° |
| C21 | C26 | C25 | 119.9° | 119.9° |
| C21 | C26 | HC23 | 120.0° | 120.1° |
| C23 | C22 | O10 | 119.8° | 120.1° |
| C22 | C23 | C24 | 120.1° | 120.1° |
| C22 | C23 | HC24 | 120.0° | 119.9° |
| C22 | O10 | H9 | 109.5° | 114.0° |
| C23 | C24 | C25 | 119.7° | 120.4° |
| C23 | C24 | HC21 | 120.1° | 119.8° |
| C24 | C23 | HC24 | 119.9° | 120.0° |
| C24 | C25 | C26 | 120.3° | 120.3° |
| C25 | C24 | HC21 | 120.1° | 119.8° |
| C24 | C25 | HC22 | 119.9° | 119.9° |
| C25 | C26 | HC23 | 120.0° | 120.1° |
| C26 | C25 | HC22 | 119.8° | 119.9° |
| HC4 | C6 | HC5 | 109.5° | 109.5° |
| HC31 | C15 | HC32 | 109.5° | 109.5° |
| HC31 | C15 | HC33 | 109.5° | 109.5° |
| HC32 | C15 | HC33 | 109.5° | 109.5° |
| HC26 | C9 | HC27 | 109.5° | 109.4° |
| HC26 | C9 | HC25 | 109.4° | 109.5° |
| HC27 | C9 | HC25 | 109.5° | 109.5° |
| HC30 | C18 | HC29 | 109.5° | 109.4° |
| HC30 | C18 | HC28 | 109.5° | 109.5° |
| HC29 | C18 | HC28 | 109.5° | 109.4° |
| HC16 | C16 | HC15 | 109.5° | 109.4° |
| HC9 | C12 | HC10 | 109.5° | 110.7° |
| HC1 | C14 | HC2 | 109.5° | 110.4° |
| HC13 | C17 | HC14 | 109.5° | 109.5° |
| HC20 | C19 | HC19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | O4 | 117.8° | 119.9° |
| C2 | C1 | C5 | HC18 | 121.1° | 119.8° |
| C2 | C1 | O4 | HC18 | 119.3° | 120.2° |
| C1 | C2 | C3 | O6 | 118.1° | 119.9° |
| C1 | C2 | C3 | HC17 | 120.6° | 119.8° |
| C1 | C2 | O6 | HC17 | 120.0° | 120.2° |
| C1 | C2 | C3 | C4 | 55.8° | 57.0° |
| C1 | C2 | C3 | O7 | 62.6° | 176.9° |
| C2 | C1 | C5 | O5 | 47.8° | 57.7° |
| C2 | C1 | C5 | S1 | 74.3° | 177.6° |
| C2 | C1 | C5 | HC3 | 170.3° | 62.3° |
| C1 | C2 | C3 | HC12 | 175.5° | 62.9° |
| C2 | C1 | O4 | HO4 | 180.0° | 180.0° |
| C1 | C2 | O6 | HO6 | 180.0° | 60.0° |
| C5 | C1 | O4 | HC18 | 120.0° | 120.2° |
| C5 | C1 | C2 | C3 | 49.8° | 57.0° |
| C5 | C1 | C2 | O6 | 168.3° | 62.8° |
| C1 | C5 | O5 | C4 | 56.4° | 61.2° |
| C1 | C5 | O5 | S1 | 121.8° | 119.9° |
| C1 | C5 | O5 | HC3 | 121.6° | 120.1° |
| C1 | C5 | S1 | HC3 | 117.5° | 120.1° |
| C1 | C5 | S1 | C6 | 169.7° | 170.1° |
| C5 | C1 | C2 | HC17 | 70.7° | 176.9° |
| C5 | C1 | O4 | HO4 | 59.3° | 60.3° |
| O4 | C1 | C2 | C3 | 168.4° | 62.9° |
| O4 | C1 | C2 | O6 | 73.2° | 177.2° |
| O4 | C1 | C5 | O5 | 165.6° | 62.2° |
| O4 | C1 | C5 | S1 | 43.5° | 57.7° |
| O4 | C1 | C5 | HC3 | 71.9° | 177.7° |
| O4 | C1 | C2 | HC17 | 47.9° | 56.9° |
| C11 | C10 | N1 | O9 | 179.7° | 179.9° |
| C10 | C11 | C12 | N2 | 118.3° | 119.4° |
| C10 | C11 | C12 | HC6 | 121.2° | 121.1° |
| C10 | C11 | N2 | HC6 | 120.7° | 121.1° |
| C10 | C11 | C12 | C13 | 131.6° | 97.1° |
| C10 | C11 | N2 | C14 | 153.2° | 120.4° |
| C10 | C11 | N2 | C15 | 86.8° | 117.4° |
| C11 | C10 | N1 | C7 | 179.6° | 180.0° |
| C10 | C11 | C12 | HC9 | 12.5° | 144.5° |
| C10 | C11 | C12 | HC10 | 109.4° | 21.3° |
| C11 | C10 | N1 | HN1 | 0.4° | 0.0° |
| N1 | C10 | C11 | C12 | 62.9° | 80.0° |
| N1 | C10 | C11 | N2 | 180.0° | 162.2° |
| C10 | N1 | C7 | C4 | 118.3° | 155.0° |
| C10 | N1 | C7 | C8 | 123.0° | 85.0° |
| C10 | N1 | C7 | HN1 | 180.0° | 180.0° |
| N1 | C10 | C11 | HC6 | 58.6° | 41.0° |
| C10 | N1 | C7 | HC7 | 2.3° | 35.0° |
| O9 | C10 | C11 | C12 | 117.5° | 100.0° |
| O9 | C10 | C11 | N2 | 0.3° | 17.7° |
| O9 | C10 | N1 | C7 | 0.1° | 0.1° |
| O9 | C10 | C11 | HC6 | 121.1° | 138.9° |
| O9 | C10 | N1 | HN1 | 179.9° | 180.0° |
| C12 | C11 | N2 | HC6 | 120.1° | 119.5° |
| C11 | C12 | C13 | HC9 | 119.1° | 118.4° |
| C11 | C12 | C13 | HC10 | 119.1° | 118.5° |
| C11 | C12 | C13 | C14 | 11.5° | 35.7° |
| C11 | C12 | C13 | C16 | 131.9° | 153.8° |
| C12 | C11 | N2 | C14 | 34.0° | 1.0° |
| C12 | C11 | N2 | C15 | 154.0° | 123.2° |
| C11 | C12 | C13 | HC11 | 107.7° | 82.5° |
| C11 | C12 | HC9 | HC10 | 122.7° | 123.3° |
| N2 | C11 | C12 | C13 | 13.3° | 22.3° |
| C11 | N2 | C14 | C13 | 39.4° | 24.1° |
| C11 | N2 | C14 | C15 | 120.2° | 122.2° |
| C11 | N2 | C15 | HC31 | 180.0° | 60.0° |
| C11 | N2 | C15 | HC32 | 60.0° | 180.0° |
| C11 | N2 | C15 | HC33 | 60.0° | 60.0° |
| N2 | C11 | C12 | HC9 | 105.8° | 96.1° |
| N2 | C11 | C12 | HC10 | 132.4° | 140.7° |
| C11 | N2 | C14 | HC1 | 158.0° | 143.0° |
| C11 | N2 | C14 | HC2 | 79.2° | 94.7° |
| C12 | C13 | C14 | C16 | 120.2° | 118.1° |
| C12 | C13 | C14 | HC11 | 119.4° | 118.1° |
| C12 | C13 | C16 | HC11 | 120.7° | 123.8° |
| C12 | C13 | C14 | N2 | 31.1° | 37.1° |
| C12 | C13 | C16 | C17 | 54.4° | 178.7° |
| C12 | C13 | C16 | HC16 | 65.5° | 61.2° |
| C12 | C13 | C16 | HC15 | 174.2° | 58.7° |
| C13 | C12 | HC9 | HC10 | 122.6° | 123.1° |
| C13 | C12 | C11 | HC6 | 107.2° | 141.8° |
| C12 | C13 | C14 | HC1 | 149.7° | 155.9° |
| C12 | C13 | C14 | HC2 | 87.4° | 81.7° |
| C14 | C13 | C16 | HC11 | 120.5° | 123.9° |
| C13 | C14 | N2 | HC1 | 118.6° | 118.8° |
| C13 | C14 | N2 | HC2 | 118.6° | 118.8° |
| C13 | C14 | N2 | C15 | 159.5° | 146.3° |
| C14 | C13 | C16 | C17 | 173.1° | 66.4° |
| C14 | C13 | C16 | HC16 | 53.2° | 173.5° |
| C14 | C13 | C16 | HC15 | 67.0° | 53.6° |
| C14 | C13 | C12 | HC9 | 130.6° | 82.7° |
| C14 | C13 | C12 | HC10 | 107.6° | 154.2° |
| C13 | C14 | HC1 | HC2 | 124.1° | 122.3° |
| C16 | C13 | C14 | N2 | 151.4° | 155.2° |
| C13 | C16 | C17 | HC16 | 119.8° | 120.1° |
| C13 | C16 | C17 | HC15 | 119.9° | 120.0° |
| C13 | C16 | C17 | C18 | 176.9° | 180.0° |
| C13 | C16 | HC16 | HC15 | 120.4° | 120.0° |
| C16 | C13 | C12 | HC9 | 109.0° | 35.4° |
| C16 | C13 | C12 | HC10 | 12.8° | 87.7° |
| C16 | C13 | C14 | HC1 | 90.1° | 86.0° |
| C16 | C13 | C14 | HC2 | 32.8° | 36.3° |
| C13 | C16 | C17 | HC13 | 56.9° | 60.1° |
| C13 | C16 | C17 | HC14 | 63.1° | 60.0° |
| N2 | C14 | C13 | HC11 | 88.3° | 81.0° |
| C14 | N2 | C15 | HC31 | 63.2° | 179.2° |
| C14 | N2 | C15 | HC32 | 56.8° | 59.2° |
| C14 | N2 | C15 | HC33 | 176.8° | 60.8° |
| C14 | N2 | C11 | HC6 | 86.1° | 118.5° |
| N2 | C14 | HC1 | HC2 | 124.1° | 122.3° |
| N2 | C15 | HC31 | HC32 | 120.0° | 120.0° |
| N2 | C15 | HC31 | HC33 | 120.0° | 120.0° |
| N2 | C15 | HC32 | HC33 | 120.0° | 120.1° |
| C15 | N2 | C11 | HC6 | 33.9° | 3.8° |
| C15 | N2 | C14 | HC1 | 81.9° | 94.8° |
| C15 | N2 | C14 | HC2 | 41.0° | 27.5° |
| C16 | C17 | C18 | HC13 | 120.0° | 120.0° |
| C16 | C17 | C18 | HC14 | 120.0° | 120.0° |
| C17 | C16 | C13 | HC11 | 66.4° | 57.5° |
| C16 | C17 | C18 | HC30 | 180.0° | 179.9° |
| C16 | C17 | C18 | HC29 | 60.0° | 60.0° |
| C16 | C17 | C18 | HC28 | 60.0° | 60.0° |
| C17 | C16 | HC16 | HC15 | 120.4° | 120.0° |
| C16 | C17 | HC13 | HC14 | 119.9° | 120.1° |
| C17 | C18 | HC30 | HC29 | 120.0° | 120.0° |
| C17 | C18 | HC30 | HC28 | 120.0° | 120.0° |
| C17 | C18 | HC29 | HC28 | 120.0° | 120.0° |
| C18 | C17 | C16 | HC16 | 63.3° | 60.0° |
| C18 | C17 | C16 | HC15 | 57.0° | 60.0° |
| C18 | C17 | HC13 | HC14 | 119.9° | 120.0° |
| C3 | C2 | O6 | HC17 | 120.1° | 120.3° |
| C2 | C3 | C4 | O7 | 117.1° | 119.9° |
| C2 | C3 | C4 | HC12 | 119.7° | 119.9° |
| C2 | C3 | O7 | HC12 | 120.5° | 120.1° |
| C2 | C3 | C4 | C7 | 179.8° | 62.4° |
| C2 | C3 | C4 | O5 | 60.3° | 57.7° |
| C2 | C3 | C4 | HC | 60.6° | 177.6° |
| C3 | C2 | C1 | HC18 | 71.3° | 176.9° |
| C3 | C2 | O6 | HO6 | 60.1° | 179.6° |
| C2 | C3 | O7 | HO7 | 180.0° | 60.0° |
| O6 | C2 | C3 | C4 | 173.9° | 62.9° |
| O6 | C2 | C3 | O7 | 55.5° | 57.0° |
| O6 | C2 | C1 | HC18 | 47.2° | 57.0° |
| O6 | C2 | C3 | HC12 | 66.3° | 177.2° |
| C4 | C3 | O7 | HC12 | 122.0° | 120.2° |
| C3 | C4 | C7 | O5 | 118.8° | 120.0° |
| C3 | C4 | C7 | HC | 119.6° | 120.0° |
| C3 | C4 | O5 | HC | 119.8° | 119.9° |
| C3 | C4 | O5 | C5 | 63.0° | 61.2° |
| C3 | C4 | C7 | C8 | 167.1° | 176.0° |
| C3 | C4 | C7 | N1 | 74.5° | 56.0° |
| C4 | C3 | C2 | HC17 | 64.8° | 176.8° |
| C3 | C4 | C7 | HC7 | 46.6° | 64.0° |
| C4 | C3 | O7 | HO7 | 62.6° | 179.7° |
| O7 | C3 | C4 | C7 | 62.7° | 57.5° |
| O7 | C3 | C4 | O5 | 56.8° | 177.6° |
| O7 | C3 | C4 | HC | 177.7° | 62.5° |
| O7 | C3 | C2 | HC17 | 176.7° | 63.3° |
| C7 | C4 | O5 | HC | 120.5° | 120.0° |
| C7 | C4 | O5 | C5 | 177.3° | 58.8° |
| C4 | C7 | C8 | N1 | 118.6° | 120.0° |
| C4 | C7 | C8 | HC7 | 120.4° | 120.0° |
| C4 | C7 | N1 | HC7 | 120.6° | 120.0° |
| C4 | C7 | C8 | C9 | 169.7° | 180.0° |
| C4 | C7 | C8 | CL1 | 71.0° | 60.0° |
| C4 | C7 | C8 | H8 | 47.4° | 60.0° |
| C7 | C4 | C3 | HC12 | 60.5° | 177.7° |
| C4 | C7 | N1 | HN1 | 61.7° | 25.0° |
| C4 | O5 | C5 | S1 | 65.4° | 178.8° |
| O5 | C4 | C7 | C8 | 48.3° | 64.0° |
| O5 | C4 | C7 | N1 | 166.7° | 176.0° |
| C4 | O5 | C5 | HC3 | 178.0° | 58.8° |
| O5 | C4 | C3 | HC12 | 180.0° | 62.2° |
| O5 | C4 | C7 | HC7 | 72.2° | 56.0° |
| O5 | C5 | S1 | HC3 | 119.7° | 120.0° |
| O5 | C5 | S1 | C6 | 67.4° | 70.0° |
| C5 | O5 | C4 | HC | 56.8° | 178.8° |
| O5 | C5 | C1 | HC18 | 73.3° | 177.5° |
| C5 | S1 | C6 | C19 | 109.0° | 180.0° |
| C5 | S1 | C6 | HC4 | 131.1° | 60.0° |
| C5 | S1 | C6 | HC5 | 11.0° | 60.0° |
| S1 | C5 | C1 | HC18 | 164.5° | 62.6° |
| S1 | C6 | C19 | HC4 | 120.0° | 120.0° |
| S1 | C6 | C19 | HC5 | 120.0° | 120.0° |
| S1 | C6 | C19 | O2 | 67.7° | 180.0° |
| C6 | S1 | C5 | HC3 | 52.2° | 50.0° |
| S1 | C6 | HC4 | HC5 | 120.1° | 120.0° |
| S1 | C6 | C19 | HC20 | 52.0° | 60.0° |
| S1 | C6 | C19 | HC19 | 172.6° | 60.0° |
| C6 | C19 | O2 | HC20 | 119.7° | 120.0° |
| C6 | C19 | O2 | HC19 | 119.7° | 120.0° |
| C6 | C19 | O2 | C20 | 175.9° | 180.0° |
| C19 | C6 | HC4 | HC5 | 120.1° | 120.0° |
| C6 | C19 | HC20 | HC19 | 121.0° | 120.0° |
| C8 | C7 | N1 | HC7 | 120.7° | 120.0° |
| C7 | C8 | C9 | CL1 | 118.8° | 120.0° |
| C7 | C8 | C9 | H8 | 122.6° | 120.0° |
| C7 | C8 | CL1 | H8 | 120.6° | 120.0° |
| C8 | C7 | C4 | HC | 73.3° | 56.0° |
| C7 | C8 | C9 | HC26 | 180.0° | 59.9° |
| C7 | C8 | C9 | HC27 | 60.0° | 59.9° |
| C7 | C8 | C9 | HC25 | 60.0° | 180.0° |
| C8 | C7 | N1 | HN1 | 57.0° | 95.0° |
| N1 | C7 | C8 | C9 | 71.7° | 60.0° |
| N1 | C7 | C8 | CL1 | 47.6° | 60.0° |
| N1 | C7 | C4 | HC | 45.1° | 64.0° |
| N1 | C7 | C8 | H8 | 166.0° | 180.0° |
| C9 | C8 | CL1 | H8 | 120.6° | 120.0° |
| C8 | C9 | HC26 | HC27 | 120.0° | 119.9° |
| C8 | C9 | HC26 | HC25 | 120.0° | 120.1° |
| C8 | C9 | HC27 | HC25 | 120.0° | 120.1° |
| C9 | C8 | C7 | HC7 | 49.3° | 60.0° |
| CL1 | C8 | C9 | HC26 | 61.2° | 60.1° |
| CL1 | C8 | C9 | HC27 | 58.8° | 180.0° |
| CL1 | C8 | C9 | HC25 | 178.8° | 60.0° |
| CL1 | C8 | C7 | HC7 | 168.6° | 180.0° |
| C19 | O2 | C20 | O3 | 0.9° | 0.0° |
| C19 | O2 | C20 | C21 | 177.8° | 180.0° |
| O2 | C19 | C6 | HC4 | 172.3° | 60.0° |
| O2 | C19 | C6 | HC5 | 52.3° | 60.0° |
| O2 | C19 | HC20 | HC19 | 121.0° | 120.0° |
| O2 | C20 | O3 | C21 | 178.7° | 180.0° |
| O2 | C20 | C21 | C22 | 1.7° | 179.9° |
| O2 | C20 | C21 | C26 | 176.9° | 0.1° |
| C20 | O2 | C19 | HC20 | 64.4° | 60.0° |
| C20 | O2 | C19 | HC19 | 56.2° | 60.0° |
| O3 | C20 | C21 | C22 | 179.6° | 0.1° |
| O3 | C20 | C21 | C26 | 1.8° | 179.9° |
| C20 | C21 | C22 | C26 | 178.6° | 179.9° |
| C20 | C21 | C22 | C23 | 179.8° | 180.0° |
| C20 | C21 | C22 | O10 | 1.3° | 0.2° |
| C20 | C21 | C26 | C25 | 179.6° | 179.5° |
| C20 | C21 | C26 | HC23 | 0.5° | 0.4° |
| C21 | C22 | C23 | O10 | 178.8° | 179.8° |
| C21 | C22 | C23 | C24 | 0.9° | 0.2° |
| C22 | C21 | C26 | C25 | 0.9° | 0.6° |
| C22 | C21 | C26 | HC23 | 179.1° | 179.7° |
| C21 | C22 | C23 | HC24 | 179.1° | 179.8° |
| C21 | C22 | O10 | H9 | 180.0° | 90.2° |
| C26 | C21 | C22 | C23 | 1.2° | 0.1° |
| C26 | C21 | C22 | O10 | 180.0° | 179.7° |
| C21 | C26 | C25 | C24 | 0.2° | 0.8° |
| C21 | C26 | C25 | HC23 | 180.0° | 179.1° |
| C21 | C26 | C25 | HC22 | 179.8° | 179.2° |
| C22 | C23 | C24 | HC24 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.2° | 0.1° |
| C22 | C23 | C24 | HC21 | 179.8° | 179.4° |
| C23 | C22 | O10 | H9 | 1.2° | 90.0° |
| O10 | C22 | C23 | C24 | 179.7° | 180.0° |
| O10 | C22 | C23 | HC24 | 0.3° | 0.0° |
| C23 | C24 | C25 | HC21 | 180.0° | 179.4° |
| C23 | C24 | C25 | C26 | 0.1° | 0.6° |
| C23 | C24 | C25 | HC22 | 179.9° | 179.5° |
| C24 | C25 | C26 | HC22 | 180.0° | 180.0° |
| C24 | C25 | C26 | HC23 | 179.8° | 179.9° |
| C25 | C24 | C23 | HC24 | 179.8° | 180.0° |
| C26 | C25 | C24 | HC21 | 179.9° | 179.9° |
| HC | C4 | C3 | HC12 | 59.1° | 57.7° |
| HC | C4 | C7 | HC7 | 166.2° | 176.0° |
| HC3 | C5 | C1 | HC18 | 49.2° | 57.5° |
| HC4 | C6 | C19 | HC20 | 68.0° | 59.9° |
| HC4 | C6 | C19 | HC19 | 52.6° | NaN° |
| HC5 | C6 | C19 | HC20 | 172.0° | 179.9° |
| HC5 | C6 | C19 | HC19 | 67.4° | 60.0° |
| H8 | C8 | C9 | HC26 | 57.4° | 180.0° |
| H8 | C8 | C9 | HC27 | 177.4° | 60.1° |
| H8 | C8 | C9 | HC25 | 62.5° | 60.0° |
| H8 | C8 | C7 | HC7 | 73.0° | 60.0° |
| HC11 | C13 | C16 | HC16 | 173.7° | 62.6° |
| HC11 | C13 | C16 | HC15 | 53.5° | 177.5° |
| HC11 | C13 | C12 | HC9 | 11.4° | 159.1° |
| HC11 | C13 | C12 | HC10 | 133.2° | 36.1° |
| HC11 | C13 | C14 | HC1 | 30.3° | 37.8° |
| HC11 | C13 | C14 | HC2 | 153.2° | 160.1° |
| HC31 | C15 | HC32 | HC33 | 120.0° | 120.0° |
| HC21 | C24 | C23 | HC24 | 0.3° | 0.6° |
| HC21 | C24 | C25 | HC22 | 0.1° | 0.1° |
| HC23 | C26 | C25 | HC22 | 0.2° | 0.1° |
| HC26 | C9 | HC27 | HC25 | 120.0° | 120.0° |
| HC30 | C18 | HC29 | HC28 | 120.0° | 120.0° |
| HC30 | C18 | C17 | HC13 | 59.9° | 60.0° |
| HC30 | C18 | C17 | HC14 | 60.0° | 60.0° |
| HC29 | C18 | C17 | HC13 | 179.9° | 60.0° |
| HC29 | C18 | C17 | HC14 | 60.0° | 180.0° |
| HC28 | C18 | C17 | HC13 | 60.0° | 180.0° |
| HC28 | C18 | C17 | HC14 | 180.0° | 60.0° |
| HC16 | C16 | C17 | HC13 | 176.7° | 60.0° |
| HC16 | C16 | C17 | HC14 | 56.7° | 179.9° |
| HC15 | C16 | C17 | HC13 | 63.0° | 180.0° |
| HC15 | C16 | C17 | HC14 | 177.0° | 60.0° |
| HC9 | C12 | C11 | HC6 | 133.7° | 23.4° |
| HC10 | C12 | C11 | HC6 | 11.8° | 99.8° |
| HC18 | C1 | C2 | HC17 | 168.2° | 63.3° |
| HC18 | C1 | O4 | HO4 | 60.7° | 59.8° |
| HC17 | C2 | C3 | HC12 | 54.9° | 56.9° |
| HC17 | C2 | O6 | HO6 | 60.0° | 60.2° |
| HC12 | C3 | O7 | HO7 | 59.5° | 60.1° |
| HC7 | C7 | N1 | HN1 | 177.7° | 145.0° |
