A1H9C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | S1 | doub | 1.42Å | 1.42Å | |
| O3 | S1 | doub | 1.42Å | 1.42Å | |
| S1 | C17 | sing | 1.76Å | 1.78Å | |
| S1 | N2 | sing | 1.66Å | 1.69Å | |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| N2 | C16 | sing | 1.47Å | 1.48Å | |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | O2 | sing | 1.36Å | 1.38Å | |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| O2 | C21 | sing | 1.43Å | 1.42Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.47Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C3 | C9 | sing | 1.48Å | 1.46Å | |
| O7 | C11 | doub | 1.22Å | 1.22Å | |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | C8 | sing | 1.48Å | 1.46Å | |
| C12 | N1 | sing | 1.47Å | 1.47Å | |
| C12 | C27 | sing | 1.51Å | 1.54Å | |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | N1 | sing | 1.35Å | 1.31Å | |
| C11 | C10 | sing | 1.48Å | 1.47Å | |
| C8 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | C28 | doub | 1.40Å | 1.43Å | Aromatic |
| C27 | O6 | doub | 1.21Å | 1.22Å | |
| C27 | O5 | sing | 1.34Å | 1.33Å | |
| C30 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | HC18 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | HC22 | sing | 1.08Å | 1.08Å | |
| C23 | HC23 | sing | 1.08Å | 1.08Å | |
| C24 | HC24 | sing | 1.08Å | 1.08Å | |
| C4 | HC4 | sing | 1.08Å | 1.08Å | |
| C6 | HC6 | sing | 1.08Å | 1.08Å | |
| C7 | HC7 | sing | 1.08Å | 1.08Å | |
| C12 | HC12 | sing | 1.09Å | 1.10Å | |
| C14 | HC14 | sing | 1.08Å | 1.08Å | |
| C19 | HC19 | sing | 1.08Å | 1.08Å | |
| 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 | HC30 | sing | 1.08Å | 1.08Å | |
| C5 | HC5 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O5 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | S1 | O3 | 119.5° | 123.2° |
| O4 | S1 | C17 | 111.8° | 106.4° |
| O4 | S1 | N2 | 106.2° | 106.4° |
| O3 | S1 | C17 | 110.2° | 106.4° |
| O3 | S1 | N2 | 107.1° | 106.4° |
| C17 | S1 | N2 | 100.0° | 107.2° |
| S1 | C17 | C18 | 118.0° | 120.0° |
| S1 | C17 | C23 | 118.6° | 120.0° |
| S1 | N2 | C16 | 117.0° | 120.0° |
| S1 | N2 | HN2 | 107.5° | 120.0° |
| C18 | C17 | C23 | 123.3° | 120.1° |
| C17 | C18 | C19 | 117.5° | 120.1° |
| C17 | C18 | HC18 | 121.2° | 120.0° |
| C17 | C23 | C22 | 119.8° | 120.1° |
| C17 | C23 | HC23 | 120.1° | 120.0° |
| C18 | C19 | C20 | 120.1° | 120.0° |
| C19 | C18 | HC18 | 121.3° | 120.0° |
| C18 | C19 | HC19 | 119.9° | 120.0° |
| N2 | C16 | C15 | 115.1° | 109.5° |
| N2 | C16 | H161 | 108.0° | 109.5° |
| N2 | C16 | H162 | 108.0° | 109.5° |
| C16 | N2 | HN2 | 107.5° | 120.0° |
| C23 | C22 | C20 | 117.6° | 119.9° |
| C23 | C22 | HC22 | 121.2° | 120.0° |
| C22 | C23 | HC23 | 120.1° | 120.0° |
| C19 | C20 | C22 | 121.6° | 119.9° |
| C19 | C20 | O2 | 119.2° | 120.1° |
| C20 | C19 | HC19 | 119.9° | 120.0° |
| C22 | C20 | O2 | 119.2° | 120.0° |
| C20 | C22 | HC22 | 121.2° | 120.1° |
| C20 | O2 | C21 | 121.4° | 117.0° |
| C5 | C6 | C7 | 119.3° | 120.3° |
| C6 | C5 | C4 | 119.8° | 120.4° |
| C5 | C6 | HC6 | 120.4° | 119.9° |
| C6 | C5 | HC5 | 120.1° | 119.8° |
| C6 | C7 | C2 | 119.0° | 119.9° |
| C7 | C6 | HC6 | 120.4° | 119.8° |
| C6 | C7 | HC7 | 120.5° | 120.1° |
| C25 | C24 | C15 | 117.0° | 120.0° |
| C24 | C25 | C26 | 119.2° | 120.0° |
| C25 | C24 | HC24 | 121.5° | 120.0° |
| C24 | C25 | HC25 | 120.4° | 120.0° |
| C24 | C15 | C16 | 120.5° | 120.0° |
| C24 | C15 | C14 | 122.4° | 120.0° |
| C15 | C24 | HC24 | 121.5° | 120.0° |
| C16 | C15 | C14 | 117.0° | 120.0° |
| C15 | C16 | H161 | 108.1° | 109.5° |
| C15 | C16 | H162 | 108.1° | 109.5° |
| O2 | C21 | H211 | 109.5° | 109.5° |
| O2 | C21 | H213 | 109.5° | 109.5° |
| O2 | C21 | H212 | 109.5° | 109.5° |
| C5 | C4 | C3 | 121.2° | 120.0° |
| C5 | C4 | HC4 | 119.4° | 120.0° |
| C4 | C5 | HC5 | 120.1° | 119.8° |
| C25 | C26 | C13 | 123.7° | 120.0° |
| C26 | C25 | HC25 | 120.4° | 120.0° |
| C25 | C26 | HC26 | 118.2° | 120.0° |
| C15 | C14 | C13 | 121.5° | 119.9° |
| C15 | C14 | HC14 | 119.2° | 120.0° |
| C7 | C2 | C3 | 122.1° | 119.9° |
| C7 | C2 | C1 | 127.9° | 132.3° |
| C2 | C7 | HC7 | 120.5° | 120.0° |
| C4 | C3 | C2 | 118.5° | 119.5° |
| C4 | C3 | C9 | 132.8° | 131.8° |
| C3 | C4 | HC4 | 119.4° | 120.0° |
| C26 | C13 | C14 | 116.1° | 120.0° |
| C26 | C13 | C12 | 123.4° | 120.0° |
| C13 | C26 | HC26 | 118.1° | 120.0° |
| C14 | C13 | C12 | 120.5° | 120.0° |
| C13 | C14 | HC14 | 119.3° | 120.0° |
| C3 | C2 | C1 | 110.0° | 107.8° |
| C2 | C3 | C9 | 108.7° | 108.7° |
| C2 | C1 | O1 | 125.6° | 126.5° |
| C2 | C1 | C8 | 104.1° | 107.0° |
| C13 | C12 | N1 | 117.1° | 109.5° |
| C13 | C12 | C27 | 104.6° | 109.5° |
| C13 | C12 | HC12 | 109.0° | 109.5° |
| C3 | C9 | C8 | 107.1° | 108.7° |
| C3 | C9 | C10 | 134.0° | 131.9° |
| O7 | C11 | N1 | 124.2° | 120.0° |
| O7 | C11 | C10 | 119.7° | 120.0° |
| O1 | C1 | C8 | 130.3° | 126.5° |
| C1 | C8 | C9 | 110.2° | 107.8° |
| C1 | C8 | C30 | 129.9° | 132.2° |
| N1 | C12 | C27 | 107.2° | 109.5° |
| C12 | N1 | C11 | 126.5° | 120.0° |
| N1 | C12 | HC12 | 109.7° | 109.4° |
| C12 | N1 | HN1 | 116.8° | 120.0° |
| C12 | C27 | O6 | 120.8° | 120.0° |
| C12 | C27 | O5 | 118.2° | 120.0° |
| C27 | C12 | HC12 | 108.8° | 109.5° |
| C8 | C9 | C10 | 118.9° | 119.4° |
| C9 | C8 | C30 | 119.8° | 120.0° |
| C9 | C10 | C11 | 120.0° | 120.1° |
| C9 | C10 | C28 | 121.8° | 119.7° |
| N1 | C11 | C10 | 116.1° | 120.0° |
| C11 | N1 | HN1 | 116.8° | 120.0° |
| C11 | C10 | C28 | 118.2° | 120.2° |
| C8 | C30 | C29 | 121.7° | 120.2° |
| C8 | C30 | HC30 | 119.2° | 119.9° |
| C10 | C28 | C29 | 118.7° | 120.3° |
| C10 | C28 | HC28 | 120.6° | 119.9° |
| O6 | C27 | O5 | 121.0° | 120.0° |
| C27 | O5 | H1 | 109.5° | 117.0° |
| C30 | C29 | C28 | 119.0° | 120.4° |
| C30 | C29 | HC29 | 120.5° | 119.7° |
| C29 | C30 | HC30 | 119.1° | 119.9° |
| C29 | C28 | HC28 | 120.6° | 119.8° |
| C28 | C29 | HC29 | 120.5° | 119.8° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.4° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H213 | C21 | H212 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | S1 | O3 | C17 | 131.6° | 122.9° |
| O4 | S1 | O3 | N2 | 120.6° | 123.0° |
| O4 | S1 | C17 | N2 | 112.0° | 113.5° |
| O4 | S1 | C17 | C18 | 30.0° | 23.5° |
| O4 | S1 | C17 | C23 | 149.7° | 156.2° |
| O4 | S1 | N2 | C16 | 179.9° | 178.5° |
| O4 | S1 | N2 | HN2 | 59.0° | 1.5° |
| O3 | S1 | C17 | N2 | 112.5° | 113.5° |
| O3 | S1 | C17 | C18 | 165.5° | 156.4° |
| O3 | S1 | C17 | C23 | 14.2° | 23.3° |
| O3 | S1 | N2 | C16 | 51.2° | 48.5° |
| O3 | S1 | N2 | HN2 | 172.3° | 131.5° |
| S1 | C17 | C18 | C23 | 179.7° | 179.7° |
| S1 | C17 | C18 | C19 | 179.8° | 179.7° |
| C17 | S1 | N2 | C16 | 63.7° | 65.0° |
| S1 | C17 | C23 | C22 | 179.2° | 179.7° |
| S1 | C17 | C18 | HC18 | 0.2° | 0.3° |
| S1 | C17 | C23 | HC23 | 0.8° | 0.2° |
| C17 | S1 | N2 | HN2 | 57.3° | 115.0° |
| N2 | S1 | C17 | C18 | 82.0° | 90.0° |
| N2 | S1 | C17 | C23 | 98.3° | 90.3° |
| S1 | N2 | C16 | HN2 | 121.1° | 180.0° |
| S1 | N2 | C16 | C15 | 135.8° | 165.0° |
| S1 | N2 | C16 | H161 | 15.0° | 45.0° |
| S1 | N2 | C16 | H162 | 103.4° | 75.0° |
| C17 | C18 | C19 | HC18 | 180.0° | 179.9° |
| C18 | C17 | C23 | C22 | 1.1° | 0.1° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C18 | C17 | C23 | HC23 | 178.9° | 180.0° |
| C17 | C18 | C19 | HC19 | 179.7° | 180.0° |
| C23 | C17 | C18 | C19 | 0.5° | 0.0° |
| C17 | C23 | C22 | HC23 | 180.0° | 179.9° |
| C17 | C23 | C22 | C20 | 0.9° | 0.2° |
| C23 | C17 | C18 | HC18 | 179.5° | 180.0° |
| C17 | C23 | C22 | HC22 | 179.1° | 180.0° |
| C18 | C19 | C20 | HC19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C22 | 0.4° | 0.1° |
| C18 | C19 | C20 | O2 | 179.5° | 179.9° |
| N2 | C16 | C15 | C24 | 3.9° | 90.0° |
| N2 | C16 | C15 | H161 | 120.8° | 120.0° |
| N2 | C16 | C15 | H162 | 120.8° | 120.0° |
| N2 | C16 | C15 | C14 | 174.5° | 90.0° |
| N2 | C16 | H161 | H162 | 117.4° | 120.0° |
| C23 | C22 | C20 | C19 | 0.2° | 0.2° |
| C23 | C22 | C20 | HC22 | 180.0° | 179.8° |
| C23 | C22 | C20 | O2 | 179.9° | 180.0° |
| C19 | C20 | C22 | O2 | 180.0° | 179.8° |
| C19 | C20 | O2 | C21 | 14.6° | 0.1° |
| C20 | C19 | C18 | HC18 | 179.7° | 180.0° |
| C19 | C20 | C22 | HC22 | 179.8° | 180.0° |
| C22 | C20 | O2 | C21 | 165.3° | 180.0° |
| C20 | C22 | C23 | HC23 | 179.1° | 179.9° |
| C22 | C20 | C19 | HC19 | 179.6° | 179.9° |
| C20 | O2 | C21 | H211 | 180.0° | 60.0° |
| C20 | O2 | C21 | H213 | 60.0° | 60.0° |
| C20 | O2 | C21 | H212 | 60.0° | 180.0° |
| O2 | C20 | C22 | HC22 | 0.1° | 0.2° |
| O2 | C20 | C19 | HC19 | 0.5° | 0.1° |
| C5 | C6 | C7 | HC6 | 180.0° | 180.0° |
| C6 | C5 | C4 | HC5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.4° | 0.1° |
| C6 | C5 | C4 | C3 | 0.9° | 0.1° |
| C6 | C5 | C4 | HC4 | 179.1° | 180.0° |
| C5 | C6 | C7 | HC7 | 179.6° | 179.9° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | C7 | C2 | HC7 | 180.0° | 179.9° |
| C6 | C7 | C2 | C3 | 0.4° | 0.1° |
| C6 | C7 | C2 | C1 | 179.9° | 179.8° |
| C7 | C6 | C5 | HC5 | 179.8° | 180.0° |
| C25 | C24 | C15 | HC24 | 180.0° | 179.9° |
| C25 | C24 | C15 | C16 | 179.8° | 179.8° |
| C24 | C25 | C26 | HC25 | 180.0° | 179.9° |
| C25 | C24 | C15 | C14 | 1.5° | 0.1° |
| C24 | C25 | C26 | C13 | 1.3° | 0.1° |
| C24 | C25 | C26 | HC26 | 178.7° | 179.9° |
| C24 | C15 | C16 | C14 | 178.4° | 179.9° |
| C15 | C24 | C25 | C26 | 1.0° | 0.1° |
| C24 | C15 | C14 | C13 | 2.2° | 0.1° |
| C24 | C15 | C16 | H161 | 116.9° | 30.1° |
| C24 | C15 | C16 | H162 | 124.7° | 150.0° |
| C24 | C15 | C14 | HC14 | 177.8° | 180.0° |
| C15 | C24 | C25 | HC25 | 179.0° | 180.0° |
| C16 | C15 | C14 | C13 | 179.5° | 180.0° |
| C15 | C16 | H161 | H162 | 117.5° | 120.0° |
| C16 | C15 | C24 | HC24 | 0.2° | 0.0° |
| C16 | C15 | C14 | HC14 | 0.5° | 0.0° |
| C15 | C16 | N2 | HN2 | 103.1° | 15.0° |
| O2 | C21 | H211 | H213 | 120.0° | 120.0° |
| O2 | C21 | H211 | H212 | 120.0° | 120.0° |
| O2 | C21 | H213 | H212 | 120.0° | 120.0° |
| C5 | C4 | C3 | HC4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 1.7° | 0.0° |
| C5 | C4 | C3 | C9 | 179.6° | 179.9° |
| C4 | C5 | C6 | HC6 | 179.9° | 180.0° |
| C25 | C26 | C13 | HC26 | 180.0° | 179.9° |
| C25 | C26 | C13 | C14 | 1.8° | 0.3° |
| C25 | C26 | C13 | C12 | 179.9° | 180.0° |
| C26 | C25 | C24 | HC24 | 179.0° | 180.0° |
| C15 | C14 | C13 | C26 | 2.2° | 0.3° |
| C15 | C14 | C13 | HC14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 179.7° | 180.0° |
| C14 | C15 | C16 | H161 | 64.7° | 150.0° |
| C14 | C15 | C16 | H162 | 53.7° | 30.0° |
| C14 | C15 | C24 | HC24 | 178.5° | 180.0° |
| C7 | C2 | C3 | C4 | 1.5° | 0.0° |
| C7 | C2 | C3 | C1 | 179.7° | 179.9° |
| C7 | C2 | C3 | C9 | 179.8° | 180.0° |
| C7 | C2 | C1 | O1 | 0.2° | 0.6° |
| C7 | C2 | C1 | C8 | 180.0° | 179.9° |
| C2 | C7 | C6 | HC6 | 179.6° | 179.9° |
| C4 | C3 | C2 | C9 | 178.4° | 180.0° |
| C4 | C3 | C2 | C1 | 178.9° | 179.9° |
| C4 | C3 | C9 | C8 | 178.5° | 180.0° |
| C4 | C3 | C9 | C10 | 1.3° | 0.1° |
| C3 | C4 | C5 | HC5 | 179.1° | 180.0° |
| C26 | C13 | C14 | C12 | 178.1° | 179.7° |
| C26 | C13 | C12 | N1 | 173.8° | 40.3° |
| C26 | C13 | C12 | C27 | 67.6° | 79.7° |
| C26 | C13 | C12 | HC12 | 48.6° | 160.3° |
| C26 | C13 | C14 | HC14 | 177.8° | 179.7° |
| C13 | C26 | C25 | HC25 | 178.7° | 179.8° |
| C14 | C13 | C12 | N1 | 8.2° | 140.0° |
| C14 | C13 | C12 | C27 | 110.4° | 100.0° |
| C14 | C13 | C12 | HC12 | 133.4° | 20.0° |
| C14 | C13 | C26 | HC26 | 178.2° | 179.7° |
| C3 | C2 | C1 | O1 | 179.5° | 179.3° |
| C3 | C2 | C1 | C8 | 0.4° | 0.2° |
| C2 | C3 | C9 | C8 | 0.4° | 0.0° |
| C2 | C3 | C9 | C10 | 179.4° | 180.0° |
| C2 | C3 | C4 | HC4 | 178.3° | 180.0° |
| C3 | C2 | C7 | HC7 | 179.6° | 179.9° |
| C1 | C2 | C3 | C9 | 0.5° | 0.1° |
| C2 | C1 | O1 | C8 | 179.8° | 179.4° |
| C2 | C1 | C8 | C9 | 0.1° | 0.2° |
| C2 | C1 | C8 | C30 | 179.9° | 179.4° |
| C1 | C2 | C7 | HC7 | 0.1° | 0.0° |
| C13 | C12 | N1 | C27 | 117.2° | 120.0° |
| C13 | C12 | N1 | HC12 | 124.9° | 120.0° |
| C13 | C12 | C27 | HC12 | 116.4° | 120.0° |
| C13 | C12 | N1 | C11 | 95.1° | 155.0° |
| C13 | C12 | C27 | O6 | 77.8° | 120.0° |
| C13 | C12 | C27 | O5 | 102.0° | 60.0° |
| C12 | C13 | C14 | HC14 | 0.4° | 0.0° |
| C12 | C13 | C26 | HC26 | 0.1° | 0.0° |
| C13 | C12 | N1 | HN1 | 84.9° | 25.0° |
| C3 | C9 | C8 | C1 | 0.2° | 0.1° |
| C3 | C9 | C8 | C10 | 179.8° | 179.9° |
| C3 | C9 | C10 | C11 | 0.2° | 0.2° |
| C3 | C9 | C8 | C30 | 179.7° | 179.5° |
| C3 | C9 | C10 | C28 | 180.0° | 179.9° |
| C9 | C3 | C4 | HC4 | 0.4° | 0.0° |
| O7 | C11 | N1 | C12 | 1.2° | 0.0° |
| O7 | C11 | C10 | C9 | 73.9° | 46.8° |
| O7 | C11 | N1 | C10 | 179.7° | 180.0° |
| O7 | C11 | C10 | C28 | 106.3° | 133.6° |
| O7 | C11 | N1 | HN1 | 178.8° | 180.0° |
| O1 | C1 | C8 | C9 | 179.7° | 179.3° |
| O1 | C1 | C8 | C30 | 0.1° | 0.0° |
| C1 | C8 | C9 | C30 | 179.8° | 179.4° |
| C1 | C8 | C9 | C10 | 179.7° | 179.9° |
| C1 | C8 | C30 | C29 | 179.7° | 180.0° |
| C1 | C8 | C30 | HC30 | 0.3° | 0.8° |
| N1 | C12 | C27 | HC12 | 118.5° | 120.0° |
| C12 | N1 | C11 | HN1 | 180.0° | 180.0° |
| C12 | N1 | C11 | C10 | 179.1° | 179.9° |
| N1 | C12 | C27 | O6 | 47.3° | 0.0° |
| N1 | C12 | C27 | O5 | 133.0° | 180.0° |
| C27 | C12 | N1 | C11 | 147.7° | 85.0° |
| C12 | C27 | O6 | O5 | 179.7° | 180.0° |
| C27 | C12 | N1 | HN1 | 32.3° | 95.0° |
| C12 | C27 | O5 | H1 | 179.7° | 179.9° |
| C8 | C9 | C10 | C11 | 180.0° | 179.7° |
| C8 | C9 | C10 | C28 | 0.2° | 0.0° |
| C9 | C8 | C30 | C29 | 0.5° | 0.8° |
| C9 | C8 | C30 | HC30 | 179.5° | 180.0° |
| C9 | C10 | C11 | N1 | 105.8° | 133.3° |
| C9 | C10 | C11 | C28 | 179.8° | 179.7° |
| C10 | C9 | C8 | C30 | 0.5° | 0.5° |
| C9 | C10 | C28 | C29 | 0.1° | 0.3° |
| C9 | C10 | C28 | HC28 | 179.9° | 179.7° |
| N1 | C11 | C10 | C28 | 74.0° | 46.4° |
| C11 | N1 | C12 | HC12 | 29.8° | 35.0° |
| C11 | C10 | C28 | C29 | 179.7° | 180.0° |
| C11 | C10 | C28 | HC28 | 0.3° | 0.0° |
| C10 | C11 | N1 | HN1 | 0.9° | 0.0° |
| C8 | C30 | C29 | HC30 | 180.0° | 179.2° |
| C8 | C30 | C29 | C28 | 0.2° | 0.5° |
| C8 | C30 | C29 | HC29 | 179.8° | 179.4° |
| C10 | C28 | C29 | C30 | 0.1° | 0.1° |
| C10 | C28 | C29 | HC28 | 180.0° | 180.0° |
| C10 | C28 | C29 | HC29 | 179.9° | 180.0° |
| O6 | C27 | C12 | HC12 | 165.8° | 120.0° |
| O6 | C27 | O5 | H1 | 0.0° | 0.0° |
| O5 | C27 | C12 | HC12 | 14.4° | 60.0° |
| C30 | C29 | C28 | HC29 | 180.0° | 180.0° |
| C30 | C29 | C28 | HC28 | 179.9° | 180.0° |
| C28 | C29 | C30 | HC30 | 179.8° | 179.7° |
| H161 | C16 | N2 | HN2 | 136.1° | 135.0° |
| H162 | C16 | N2 | HN2 | 17.7° | 105.0° |
| HC18 | C18 | C19 | HC19 | 0.3° | 0.0° |
| H211 | C21 | H213 | H212 | 120.0° | 120.0° |
| HC22 | C22 | C23 | HC23 | 0.9° | 0.1° |
| HC24 | C24 | C25 | HC25 | 1.0° | 0.1° |
| HC4 | C4 | C5 | HC5 | 0.9° | 0.0° |
| HC6 | C6 | C7 | HC7 | 0.4° | 0.0° |
| HC6 | C6 | C5 | HC5 | 0.1° | 0.1° |
| HC12 | C12 | N1 | HN1 | 150.2° | 145.0° |
| HC25 | C25 | C26 | HC26 | 1.2° | 0.1° |
| HC28 | C28 | C29 | HC29 | 0.1° | 0.0° |
| HC29 | C29 | C30 | HC30 | 0.2° | 0.2° |
