A1IX4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O6 | sing | 1.34Å | 1.35Å | |
| N1 | C10 | sing | 1.35Å | 1.35Å | |
| N1 | C11 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| O2 | C8 | sing | 1.36Å | 1.38Å | |
| O2 | C9 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C23 | sing | 1.51Å | 1.57Å | |
| O3 | C10 | doub | 1.21Å | 1.21Å | |
| C4 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C4 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| O4 | C26 | sing | 1.37Å | 1.35Å | |
| O4 | C30 | sing | 1.44Å | 1.41Å | |
| C5 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| O5 | C25 | sing | 1.37Å | 1.37Å | |
| O5 | C30 | sing | 1.44Å | 1.41Å | |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C20 | sing | 1.42Å | 1.43Å | Aromatic |
| C7 | C8 | sing | 1.37Å | 1.40Å | Aromatic |
| C8 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.46Å | 1.55Å | |
| C11 | C17 | sing | 1.54Å | 1.57Å | |
| C12 | C13 | sing | 1.54Å | 1.55Å | |
| C13 | C14 | sing | 1.50Å | 1.55Å | |
| C14 | C15 | sing | 1.54Å | 1.54Å | |
| C15 | C16 | sing | 1.54Å | 1.54Å | |
| C16 | C17 | sing | 1.50Å | 1.56Å | |
| C18 | C19 | sing | 1.36Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.41Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.41Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.36Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.43Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C3 | HC3 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | HC11 | sing | 1.09Å | 1.10Å | |
| C5 | HC5 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C7 | HC7 | sing | 1.08Å | 1.08Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C18 | HC18 | sing | 1.08Å | 1.08Å | |
| C19 | HC19 | sing | 1.08Å | 1.08Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C21 | HC21 | sing | 1.08Å | 1.08Å | |
| C22 | HC22 | sing | 1.08Å | 1.08Å | |
| C24 | HC24 | sing | 1.08Å | 1.08Å | |
| C27 | HC27 | sing | 1.08Å | 1.08Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| O6 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 123.8° | 120.0° |
| O1 | C1 | O6 | 125.2° | 120.0° |
| C2 | C1 | O6 | 110.9° | 120.0° |
| C1 | C2 | C3 | 106.2° | 109.5° |
| C1 | C2 | H21 | 110.3° | 109.5° |
| C1 | C2 | H22 | 110.3° | 109.4° |
| C1 | O6 | H1 | 109.5° | 117.0° |
| C10 | N1 | C11 | 122.2° | 120.0° |
| N1 | C10 | O3 | 120.6° | 120.0° |
| N1 | C10 | C9 | 123.6° | 120.0° |
| C10 | N1 | HN1 | 118.9° | 120.0° |
| N1 | C11 | C12 | 115.7° | 108.9° |
| N1 | C11 | C17 | 110.0° | 108.9° |
| C11 | N1 | HN1 | 118.9° | 120.0° |
| N1 | C11 | HC11 | 105.5° | 108.9° |
| C2 | C3 | C4 | 118.7° | 109.4° |
| C2 | C3 | C23 | 117.0° | 109.5° |
| C2 | C3 | HC3 | 103.5° | 109.5° |
| C3 | C2 | H21 | 110.3° | 109.5° |
| C3 | C2 | H22 | 110.3° | 109.5° |
| C8 | O2 | C9 | 119.1° | 117.0° |
| O2 | C8 | C7 | 122.9° | 119.6° |
| O2 | C8 | C18 | 116.9° | 119.6° |
| O2 | C9 | C10 | 101.6° | 109.5° |
| O2 | C9 | H91 | 111.4° | 109.4° |
| O2 | C9 | H92 | 111.4° | 109.5° |
| C4 | C3 | C23 | 108.4° | 109.5° |
| C3 | C4 | C5 | 123.5° | 119.5° |
| C3 | C4 | C22 | 116.9° | 119.5° |
| C4 | C3 | HC3 | 103.6° | 109.5° |
| C3 | C23 | C24 | 122.3° | 120.0° |
| C3 | C23 | C28 | 121.2° | 119.9° |
| C23 | C3 | HC3 | 103.3° | 109.5° |
| O3 | C10 | C9 | 115.7° | 120.0° |
| C5 | C4 | C22 | 119.5° | 121.0° |
| C4 | C5 | C6 | 119.2° | 119.7° |
| C4 | C5 | HC5 | 120.4° | 120.2° |
| C4 | C22 | C21 | 122.2° | 121.0° |
| C4 | C22 | HC22 | 118.9° | 119.5° |
| C26 | O4 | C30 | 103.6° | 105.5° |
| O4 | C26 | C25 | 111.8° | 108.6° |
| O4 | C26 | C27 | 127.4° | 131.5° |
| O4 | C30 | O5 | 108.9° | 103.7° |
| O4 | C30 | H302 | 109.6° | 110.6° |
| O4 | C30 | H301 | 109.6° | 110.6° |
| C5 | C6 | C7 | 121.6° | 121.3° |
| C5 | C6 | C20 | 120.2° | 119.4° |
| C6 | C5 | HC5 | 120.4° | 120.1° |
| C25 | O5 | C30 | 105.2° | 105.5° |
| O5 | C25 | C24 | 129.6° | 131.6° |
| O5 | C25 | C26 | 108.1° | 108.6° |
| O5 | C30 | H302 | 109.6° | 110.5° |
| O5 | C30 | H301 | 109.6° | 110.7° |
| C7 | C6 | C20 | 118.1° | 119.4° |
| C6 | C7 | C8 | 120.6° | 119.7° |
| C6 | C7 | HC7 | 119.7° | 120.2° |
| C6 | C20 | C19 | 121.2° | 119.5° |
| C6 | C20 | C21 | 118.4° | 119.3° |
| C7 | C8 | C18 | 120.2° | 120.8° |
| C8 | C7 | HC7 | 119.7° | 120.1° |
| C8 | C18 | C19 | 121.4° | 121.0° |
| C8 | C18 | HC18 | 119.3° | 119.5° |
| C10 | C9 | H91 | 111.4° | 109.5° |
| C10 | C9 | H92 | 111.4° | 109.5° |
| C12 | C11 | C17 | 115.2° | 112.4° |
| C11 | C12 | C13 | 114.0° | 112.4° |
| C12 | C11 | HC11 | 104.6° | 108.9° |
| C11 | C12 | H121 | 108.3° | 108.9° |
| C11 | C12 | H122 | 108.3° | 108.9° |
| C11 | C17 | C16 | 121.3° | 108.5° |
| C17 | C11 | HC11 | 104.5° | 108.8° |
| C11 | C17 | H171 | 106.4° | 109.6° |
| C11 | C17 | H172 | 106.4° | 109.6° |
| C12 | C13 | C14 | 114.5° | 108.5° |
| C13 | C12 | H121 | 108.3° | 108.9° |
| C13 | C12 | H122 | 108.4° | 108.9° |
| C12 | C13 | H131 | 108.2° | 109.6° |
| C12 | C13 | H132 | 108.2° | 109.7° |
| C13 | C14 | C15 | 118.5° | 112.5° |
| C13 | C14 | H141 | 107.2° | 108.9° |
| C13 | C14 | H142 | 107.2° | 108.8° |
| C14 | C13 | H131 | 108.2° | 109.6° |
| C14 | C13 | H132 | 108.2° | 109.7° |
| C14 | C15 | C16 | 115.8° | 112.8° |
| C15 | C14 | H141 | 107.1° | 108.8° |
| C15 | C14 | H142 | 107.2° | 108.9° |
| C14 | C15 | H152 | 107.9° | 108.9° |
| C14 | C15 | H151 | 107.9° | 108.8° |
| C15 | C16 | C17 | 114.6° | 112.5° |
| C15 | C16 | H162 | 108.2° | 108.9° |
| C15 | C16 | H161 | 108.2° | 108.8° |
| C16 | C15 | H152 | 107.9° | 108.8° |
| C16 | C15 | H151 | 107.9° | 108.8° |
| C17 | C16 | H162 | 108.2° | 108.8° |
| C17 | C16 | H161 | 108.2° | 108.9° |
| C16 | C17 | H171 | 106.4° | 109.6° |
| C16 | C17 | H172 | 106.4° | 109.7° |
| C18 | C19 | C20 | 118.3° | 119.7° |
| C19 | C18 | HC18 | 119.3° | 119.5° |
| C18 | C19 | HC19 | 120.8° | 120.2° |
| C19 | C20 | C21 | 120.4° | 121.2° |
| C20 | C19 | HC19 | 120.8° | 120.2° |
| C20 | C21 | C22 | 120.4° | 119.7° |
| C20 | C21 | HC21 | 119.8° | 120.2° |
| C22 | C21 | HC21 | 119.8° | 120.1° |
| C21 | C22 | HC22 | 118.9° | 119.5° |
| C24 | C23 | C28 | 116.5° | 120.1° |
| C23 | C24 | C25 | 118.9° | 120.1° |
| C23 | C24 | HC24 | 120.5° | 120.0° |
| C23 | C28 | C27 | 122.9° | 120.1° |
| C23 | C28 | C29 | 123.9° | 119.9° |
| C24 | C25 | C26 | 122.3° | 119.8° |
| C25 | C24 | HC24 | 120.5° | 119.9° |
| C25 | C26 | C27 | 120.8° | 119.8° |
| C26 | C27 | C28 | 118.6° | 120.0° |
| C26 | C27 | HC27 | 120.7° | 120.0° |
| C27 | C28 | C29 | 113.3° | 119.9° |
| C28 | C27 | HC27 | 120.8° | 120.0° |
| C28 | C29 | H292 | 109.5° | 109.4° |
| C28 | C29 | H293 | 109.5° | 109.5° |
| C28 | C29 | H291 | 109.4° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 108.9° |
| H162 | C16 | H161 | 109.5° | 108.8° |
| H121 | C12 | H122 | 109.4° | 108.8° |
| H131 | C13 | H132 | 109.5° | 109.7° |
| H171 | C17 | H172 | 109.5° | 109.8° |
| H152 | C15 | H151 | 109.5° | 108.7° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.4° | 109.4° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H293 | C29 | H291 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O6 | 179.7° | 179.8° |
| O1 | C1 | C2 | C3 | 5.2° | 0.1° |
| O1 | C1 | C2 | H21 | 114.3° | 120.0° |
| O1 | C1 | C2 | H22 | 124.6° | 120.0° |
| O1 | C1 | O6 | H1 | 0.0° | 0.1° |
| C1 | C2 | C3 | H21 | 119.5° | 120.0° |
| C1 | C2 | C3 | H22 | 119.5° | 119.9° |
| C1 | C2 | C3 | C4 | 160.8° | 65.0° |
| C1 | C2 | C3 | C23 | 66.1° | 175.0° |
| C1 | C2 | C3 | HC3 | 46.7° | 54.9° |
| C1 | C2 | H21 | H22 | 121.5° | 119.9° |
| C2 | C1 | O6 | H1 | 179.7° | 179.7° |
| O6 | C1 | C2 | C3 | 174.5° | 179.7° |
| O6 | C1 | C2 | H21 | 66.0° | 60.2° |
| O6 | C1 | C2 | H22 | 55.0° | 59.8° |
| C10 | N1 | C11 | HN1 | 180.0° | 179.9° |
| N1 | C10 | C9 | O2 | 146.7° | 180.0° |
| N1 | C10 | O3 | C9 | 179.1° | 179.9° |
| C10 | N1 | C11 | C12 | 157.3° | 155.0° |
| C10 | N1 | C11 | C17 | 70.0° | 82.2° |
| C10 | N1 | C11 | HC11 | 42.2° | 36.4° |
| N1 | C10 | C9 | H91 | 94.6° | 60.0° |
| N1 | C10 | C9 | H92 | 28.0° | 60.1° |
| C11 | N1 | C10 | O3 | 1.3° | 0.1° |
| C11 | N1 | C10 | C9 | 179.6° | 180.0° |
| N1 | C11 | C12 | C17 | 130.3° | 120.7° |
| N1 | C11 | C12 | HC11 | 115.6° | 118.6° |
| N1 | C11 | C17 | HC11 | 112.9° | 118.6° |
| N1 | C11 | C12 | C13 | 149.1° | 177.4° |
| N1 | C11 | C17 | C16 | 73.5° | 159.3° |
| N1 | C11 | C12 | H121 | 90.2° | 56.6° |
| N1 | C11 | C12 | H122 | 28.4° | 61.9° |
| N1 | C11 | C17 | H171 | 48.1° | 81.0° |
| N1 | C11 | C17 | H172 | 164.9° | 39.5° |
| C2 | C3 | C4 | C23 | 136.7° | 120.0° |
| C2 | C3 | C4 | HC3 | 114.0° | 120.0° |
| C2 | C3 | C23 | HC3 | 113.0° | 120.1° |
| C2 | C3 | C4 | C5 | 81.1° | 133.4° |
| C2 | C3 | C4 | C22 | 101.6° | 46.3° |
| C2 | C3 | C23 | C24 | 15.9° | 56.4° |
| C2 | C3 | C23 | C28 | 166.0° | 123.2° |
| C3 | C2 | H21 | H22 | 121.5° | 120.0° |
| O2 | C8 | C7 | C6 | 179.6° | 180.0° |
| O2 | C8 | C7 | C18 | 179.6° | 179.9° |
| C8 | O2 | C9 | C10 | 77.4° | 180.0° |
| O2 | C8 | C18 | C19 | 180.0° | 180.0° |
| O2 | C8 | C7 | HC7 | 0.4° | 0.1° |
| O2 | C8 | C18 | HC18 | 0.0° | 0.1° |
| C8 | O2 | C9 | H91 | 163.9° | 60.0° |
| C8 | O2 | C9 | H92 | 41.4° | 60.0° |
| O2 | C9 | C10 | O3 | 32.4° | 0.0° |
| C9 | O2 | C8 | C7 | 9.3° | 180.0° |
| C9 | O2 | C8 | C18 | 171.1° | 0.1° |
| O2 | C9 | C10 | H91 | 118.7° | 120.0° |
| O2 | C9 | C10 | H92 | 118.7° | 120.0° |
| O2 | C9 | H91 | H92 | 123.6° | 120.0° |
| C4 | C3 | C23 | HC3 | 109.4° | 120.0° |
| C3 | C4 | C5 | C22 | 177.2° | 179.7° |
| C3 | C4 | C5 | C6 | 178.9° | 180.0° |
| C3 | C4 | C22 | C21 | 178.7° | 180.0° |
| C4 | C3 | C23 | C24 | 121.7° | 63.5° |
| C4 | C3 | C23 | C28 | 56.4° | 116.8° |
| C4 | C3 | C2 | H21 | 41.3° | 55.0° |
| C4 | C3 | C2 | H22 | 79.8° | 175.0° |
| C3 | C4 | C5 | HC5 | 1.1° | 0.0° |
| C3 | C4 | C22 | HC22 | 1.3° | 0.0° |
| C23 | C3 | C4 | C5 | 55.7° | 106.6° |
| C23 | C3 | C4 | C22 | 121.6° | 73.7° |
| C3 | C23 | C24 | C28 | 178.2° | 179.7° |
| C3 | C23 | C24 | C25 | 179.6° | 180.0° |
| C3 | C23 | C28 | C27 | 179.4° | 179.8° |
| C3 | C23 | C28 | C29 | 1.4° | 0.0° |
| C23 | C3 | C2 | H21 | 174.4° | 65.0° |
| C23 | C3 | C2 | H22 | 53.4° | 55.1° |
| C3 | C23 | C24 | HC24 | 0.3° | 0.1° |
| O3 | C10 | N1 | HN1 | 178.7° | 180.0° |
| O3 | C10 | C9 | H91 | 86.3° | 120.0° |
| O3 | C10 | C9 | H92 | 151.1° | 120.0° |
| C4 | C5 | C6 | HC5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 178.7° | 180.0° |
| C4 | C5 | C6 | C20 | 1.5° | 0.0° |
| C5 | C4 | C22 | C21 | 1.3° | 0.3° |
| C5 | C4 | C3 | HC3 | 164.9° | 13.5° |
| C5 | C4 | C22 | HC22 | 178.7° | 179.7° |
| C22 | C4 | C5 | C6 | 1.7° | 0.3° |
| C4 | C22 | C21 | C20 | 0.6° | 0.1° |
| C4 | C22 | C21 | HC22 | 180.0° | 179.9° |
| C22 | C4 | C3 | HC3 | 12.4° | 166.3° |
| C22 | C4 | C5 | HC5 | 178.3° | 179.8° |
| C4 | C22 | C21 | HC21 | 179.3° | 179.7° |
| O4 | C26 | C25 | O5 | 0.5° | 0.0° |
| C26 | O4 | C30 | O5 | 15.1° | 27.1° |
| O4 | C26 | C25 | C24 | 179.7° | 180.0° |
| O4 | C26 | C25 | C27 | 179.9° | 180.0° |
| O4 | C26 | C27 | C28 | 179.9° | 179.7° |
| O4 | C26 | C27 | HC27 | 0.1° | 0.1° |
| C26 | O4 | C30 | H302 | 135.0° | 91.4° |
| C26 | O4 | C30 | H301 | 104.8° | 145.8° |
| O4 | C30 | O5 | C25 | 15.1° | 27.1° |
| O4 | C30 | O5 | H302 | 119.9° | 118.5° |
| O4 | C30 | O5 | H301 | 119.9° | 118.6° |
| C30 | O4 | C26 | C25 | 9.6° | 17.2° |
| C30 | O4 | C26 | C27 | 170.4° | 162.7° |
| O4 | C30 | H302 | H301 | 120.3° | 122.8° |
| C5 | C6 | C7 | C20 | 179.8° | 180.0° |
| C5 | C6 | C7 | C8 | 179.7° | 180.0° |
| C5 | C6 | C20 | C19 | 178.8° | 180.0° |
| C5 | C6 | C20 | C21 | 0.9° | 0.3° |
| C5 | C6 | C7 | HC7 | 0.3° | 0.0° |
| O5 | C25 | C24 | C23 | 179.8° | 180.0° |
| O5 | C25 | C24 | C26 | 179.1° | 180.0° |
| O5 | C25 | C26 | C27 | 179.6° | 180.0° |
| O5 | C25 | C24 | HC24 | 0.2° | 0.0° |
| C25 | O5 | C30 | H302 | 135.0° | 91.4° |
| C25 | O5 | C30 | H301 | 104.8° | 145.7° |
| C30 | O5 | C25 | C24 | 170.3° | 162.7° |
| C30 | O5 | C25 | C26 | 8.9° | 17.3° |
| O5 | C30 | H302 | H301 | 120.3° | 122.9° |
| C6 | C7 | C8 | HC7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C18 | 0.1° | 0.1° |
| C7 | C6 | C20 | C19 | 1.4° | 0.0° |
| C7 | C6 | C20 | C21 | 179.3° | 179.7° |
| C7 | C6 | C5 | HC5 | 1.3° | 0.0° |
| C20 | C6 | C7 | C8 | 0.5° | 0.1° |
| C6 | C20 | C19 | C18 | 1.7° | 0.0° |
| C6 | C20 | C19 | C21 | 177.8° | 179.7° |
| C6 | C20 | C21 | C22 | 0.5° | 0.3° |
| C20 | C6 | C5 | HC5 | 178.5° | 179.9° |
| C20 | C6 | C7 | HC7 | 179.5° | 180.0° |
| C6 | C20 | C19 | HC19 | 178.3° | 180.0° |
| C6 | C20 | C21 | HC21 | 179.5° | 180.0° |
| C7 | C8 | C18 | C19 | 0.4° | 0.1° |
| C7 | C8 | C18 | HC18 | 179.5° | 179.9° |
| C8 | C18 | C19 | HC18 | 180.0° | 179.9° |
| C8 | C18 | C19 | C20 | 1.3° | 0.1° |
| C18 | C8 | C7 | HC7 | 179.9° | 179.9° |
| C8 | C18 | C19 | HC19 | 178.8° | 180.0° |
| C9 | C10 | N1 | HN1 | 0.4° | 0.1° |
| C10 | C9 | H91 | H92 | 123.7° | 120.0° |
| C12 | C11 | C17 | HC11 | 114.2° | 120.7° |
| C11 | C12 | C13 | H121 | 120.7° | 120.7° |
| C11 | C12 | C13 | H122 | 120.7° | 120.8° |
| C11 | C12 | C13 | C14 | 77.4° | 80.0° |
| C12 | C11 | C17 | C16 | 59.5° | 80.0° |
| C12 | C11 | N1 | HN1 | 22.8° | 24.9° |
| C11 | C12 | H121 | H122 | 117.9° | 118.6° |
| C11 | C12 | C13 | H131 | 43.3° | 160.3° |
| C11 | C12 | C13 | H132 | 161.8° | 39.8° |
| C12 | C11 | C17 | H171 | 178.9° | 39.7° |
| C12 | C11 | C17 | H172 | 62.2° | 160.3° |
| C17 | C11 | C12 | C13 | 18.9° | 61.9° |
| C11 | C17 | C16 | C15 | 37.4° | 94.1° |
| C11 | C17 | C16 | H171 | 121.6° | 119.7° |
| C11 | C17 | C16 | H172 | 121.6° | 119.7° |
| C17 | C11 | N1 | HN1 | 110.0° | 97.9° |
| C11 | C17 | C16 | H162 | 158.1° | 145.0° |
| C11 | C17 | C16 | H161 | 83.4° | 26.6° |
| C17 | C11 | C12 | H121 | 139.5° | 177.3° |
| C17 | C11 | C12 | H122 | 101.8° | 58.8° |
| C11 | C17 | H171 | H172 | 114.7° | 120.5° |
| C12 | C13 | C14 | H131 | 120.7° | 119.7° |
| C12 | C13 | C14 | H132 | 120.7° | 119.8° |
| C12 | C13 | C14 | C15 | 27.7° | 94.2° |
| C13 | C12 | C11 | HC11 | 95.3° | 58.8° |
| C12 | C13 | C14 | H141 | 149.0° | 145.1° |
| C12 | C13 | C14 | H142 | 93.6° | 26.5° |
| C13 | C12 | H121 | H122 | 118.0° | 118.6° |
| C12 | C13 | H131 | H132 | 117.7° | 120.5° |
| C13 | C14 | C15 | H141 | 121.3° | 120.7° |
| C13 | C14 | C15 | H142 | 121.3° | 120.7° |
| C13 | C14 | C15 | C16 | 56.5° | 41.7° |
| C13 | C14 | H141 | H142 | 115.9° | 118.5° |
| C14 | C13 | C12 | H121 | 161.9° | 159.3° |
| C14 | C13 | C12 | H122 | 43.2° | 40.7° |
| C14 | C13 | H131 | H132 | 117.7° | 120.5° |
| C13 | C14 | C15 | H152 | 177.5° | 79.1° |
| C13 | C14 | C15 | H151 | 64.4° | 162.6° |
| C14 | C15 | C16 | H152 | 120.9° | 120.9° |
| C14 | C15 | C16 | H151 | 120.9° | 120.9° |
| C14 | C15 | C16 | C17 | 47.1° | 41.7° |
| C15 | C14 | H141 | H142 | 115.9° | 118.6° |
| C14 | C15 | C16 | H162 | 73.6° | 162.5° |
| C14 | C15 | C16 | H161 | 167.9° | 79.0° |
| C15 | C14 | C13 | H131 | 93.0° | 146.1° |
| C15 | C14 | C13 | H132 | 148.4° | 25.6° |
| C14 | C15 | H152 | H151 | 117.1° | 118.4° |
| C15 | C16 | C17 | H162 | 120.7° | 120.8° |
| C15 | C16 | C17 | H161 | 120.8° | 120.7° |
| C16 | C15 | C14 | H141 | 64.7° | 162.5° |
| C16 | C15 | C14 | H142 | 177.8° | 79.0° |
| C15 | C16 | H162 | H161 | 117.7° | 118.5° |
| C15 | C16 | C17 | H171 | 159.0° | 25.5° |
| C15 | C16 | C17 | H172 | 84.3° | 146.1° |
| C16 | C15 | H152 | H151 | 117.1° | 118.3° |
| C16 | C17 | C11 | HC11 | 173.6° | 40.7° |
| C17 | C16 | H162 | H161 | 117.7° | 118.5° |
| C16 | C17 | H171 | H172 | 114.7° | 120.5° |
| C17 | C16 | C15 | H152 | 168.1° | 162.6° |
| C17 | C16 | C15 | H151 | 73.8° | 79.2° |
| C18 | C19 | C20 | HC19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 179.6° | 179.7° |
| C19 | C20 | C21 | C22 | 178.4° | 180.0° |
| C20 | C19 | C18 | HC18 | 178.7° | 180.0° |
| C19 | C20 | C21 | HC21 | 1.6° | 0.3° |
| C20 | C21 | C22 | HC21 | 180.0° | 179.6° |
| C21 | C20 | C19 | HC19 | 0.4° | 0.3° |
| C20 | C21 | C22 | HC22 | 179.3° | 180.0° |
| C23 | C24 | C25 | HC24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 1.1° | 0.0° |
| C24 | C23 | C28 | C27 | 1.2° | 0.5° |
| C24 | C23 | C28 | C29 | 179.6° | 179.7° |
| C24 | C23 | C3 | HC3 | 128.9° | 176.5° |
| C28 | C23 | C24 | C25 | 1.5° | 0.3° |
| C23 | C28 | C27 | C26 | 0.4° | 0.5° |
| C23 | C28 | C27 | C29 | 179.3° | 179.8° |
| C28 | C23 | C3 | HC3 | 53.0° | 3.2° |
| C28 | C23 | C24 | HC24 | 178.5° | 179.7° |
| C23 | C28 | C27 | HC27 | 179.5° | 179.7° |
| C23 | C28 | C29 | H292 | 90.4° | 83.9° |
| C23 | C28 | C29 | H293 | 149.6° | 156.2° |
| C23 | C28 | C29 | H291 | 29.6° | 36.1° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C25 | C26 | C27 | C28 | 0.0° | 0.2° |
| C26 | C25 | C24 | HC24 | 178.9° | 180.0° |
| C25 | C26 | C27 | HC27 | 180.0° | 180.0° |
| C26 | C27 | C28 | HC27 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 179.7° | 179.7° |
| C27 | C28 | C29 | H292 | 90.3° | 95.9° |
| C27 | C28 | C29 | H293 | 29.7° | 24.1° |
| C27 | C28 | C29 | H291 | 149.7° | 144.1° |
| C29 | C28 | C27 | HC27 | 0.2° | 0.1° |
| C28 | C29 | H292 | H293 | 120.0° | 119.9° |
| C28 | C29 | H292 | H291 | 120.0° | 120.0° |
| C28 | C29 | H293 | H291 | 120.0° | 120.0° |
| HC3 | C3 | C2 | H21 | 72.8° | 174.9° |
| HC3 | C3 | C2 | H22 | 166.2° | 65.0° |
| HN1 | N1 | C11 | HC11 | 137.8° | 143.5° |
| HC11 | C11 | C12 | H121 | 25.4° | 62.0° |
| HC11 | C11 | C12 | H122 | 144.0° | 179.5° |
| HC11 | C11 | C17 | H171 | 64.7° | 160.4° |
| HC11 | C11 | C17 | H172 | 52.0° | 79.0° |
| H141 | C14 | C13 | H131 | 28.2° | 25.4° |
| H141 | C14 | C13 | H132 | 90.3° | 95.1° |
| H141 | C14 | C15 | H152 | 56.2° | 41.6° |
| H141 | C14 | C15 | H151 | 174.3° | 76.7° |
| H142 | C14 | C13 | H131 | 145.7° | 93.1° |
| H142 | C14 | C13 | H132 | 27.1° | 146.3° |
| H142 | C14 | C15 | H152 | 61.2° | 160.2° |
| H142 | C14 | C15 | H151 | 56.9° | 41.9° |
| H162 | C16 | C17 | H171 | 80.3° | 95.3° |
| H162 | C16 | C17 | H172 | 36.5° | 25.3° |
| H162 | C16 | C15 | H152 | 47.3° | 76.6° |
| H162 | C16 | C15 | H151 | 165.5° | 41.6° |
| H161 | C16 | C17 | H171 | 38.2° | 146.2° |
| H161 | C16 | C17 | H172 | 155.0° | 93.2° |
| H161 | C16 | C15 | H152 | 71.2° | 41.9° |
| H161 | C16 | C15 | H151 | 47.0° | 160.1° |
| H121 | C12 | C13 | H131 | 77.4° | 39.6° |
| H121 | C12 | C13 | H132 | 41.2° | 80.9° |
| H122 | C12 | C13 | H131 | 164.0° | 78.9° |
| H122 | C12 | C13 | H132 | 77.5° | 160.5° |
| HC18 | C18 | C19 | HC19 | 1.2° | 0.0° |
| HC21 | C21 | C22 | HC22 | 0.7° | 0.4° |
| H292 | C29 | H293 | H291 | 120.0° | 120.0° |
