A1IXZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C8 | sing | 1.51Å | 1.52Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C1 | O1 | doub | 1.21Å | 1.20Å | |
| C10 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.37Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.43Å | Aromatic |
| C11 | C26 | sing | 1.42Å | 1.43Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C13 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C22 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | O3 | sing | 1.36Å | 1.35Å | |
| C19 | O3 | sing | 1.44Å | 1.40Å | |
| C19 | O4 | sing | 1.44Å | 1.41Å | |
| C2 | C3 | sing | 1.50Å | 1.51Å | |
| C2 | C7 | sing | 1.53Å | 1.58Å | |
| C2 | N1 | sing | 1.46Å | 1.45Å | |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | O4 | sing | 1.37Å | 1.36Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C23 | O5 | sing | 1.34Å | 1.35Å | |
| C23 | O6 | doub | 1.21Å | 1.22Å | |
| C24 | C25 | doub | 1.36Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.41Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.41Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.36Å | 1.38Å | Aromatic |
| C28 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.29Å | 1.35Å | |
| C4 | C5 | sing | 1.50Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C8 | O2 | sing | 1.43Å | 1.45Å | |
| C9 | O2 | sing | 1.36Å | 1.38Å | |
| C2 | HC2 | sing | 1.09Å | 1.10Å | |
| C4 | HC4 | sing | 1.08Å | 1.08Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C16 | HC16 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C21 | HC21 | sing | 1.08Å | 1.08Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | HC24 | sing | 1.08Å | 1.08Å | |
| C25 | HC25 | sing | 1.08Å | 1.08Å | |
| C27 | HC27 | sing | 1.08Å | 1.08Å | |
| C10 | HC10 | sing | 1.08Å | 1.08Å | |
| C12 | HC12 | sing | 1.08Å | 1.08Å | |
| C14 | HC14 | sing | 1.09Å | 1.10Å | |
| C17 | HC17 | sing | 1.08Å | 1.08Å | |
| C28 | HC28 | sing | 1.08Å | 1.08Å | |
| C3 | HC3 | sing | 1.08Å | 1.08Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | 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) |
| C8 | C1 | N1 | 118.5° | 120.0° |
| C8 | C1 | O1 | 117.4° | 119.9° |
| C1 | C8 | O2 | 103.2° | 109.5° |
| C1 | C8 | H82 | 111.0° | 109.5° |
| C1 | C8 | H81 | 111.0° | 109.5° |
| N1 | C1 | O1 | 124.0° | 120.0° |
| C1 | N1 | C2 | 124.5° | 120.0° |
| C1 | N1 | HN1 | 117.8° | 120.0° |
| C11 | C10 | C9 | 120.7° | 119.6° |
| C10 | C11 | C12 | 123.5° | 121.3° |
| C10 | C11 | C26 | 118.1° | 119.4° |
| C11 | C10 | HC10 | 119.6° | 120.2° |
| C10 | C9 | C28 | 119.0° | 120.9° |
| C10 | C9 | O2 | 128.1° | 119.5° |
| C9 | C10 | HC10 | 119.7° | 120.2° |
| C12 | C11 | C26 | 118.5° | 119.3° |
| C11 | C12 | C13 | 120.2° | 119.7° |
| C11 | C12 | HC12 | 119.9° | 120.1° |
| C11 | C26 | C25 | 119.6° | 119.4° |
| C11 | C26 | C27 | 120.8° | 119.4° |
| C12 | C13 | C14 | 123.4° | 119.5° |
| C12 | C13 | C24 | 119.1° | 121.0° |
| C13 | C12 | HC12 | 119.9° | 120.2° |
| C14 | C13 | C24 | 117.5° | 119.5° |
| C13 | C14 | C15 | 105.3° | 109.5° |
| C13 | C14 | C22 | 118.8° | 109.5° |
| C13 | C14 | HC14 | 104.3° | 109.5° |
| C13 | C24 | C25 | 121.7° | 121.0° |
| C13 | C24 | HC24 | 119.2° | 119.5° |
| C15 | C14 | C22 | 117.7° | 109.4° |
| C14 | C15 | C16 | 115.2° | 119.9° |
| C14 | C15 | C21 | 125.2° | 120.0° |
| C15 | C14 | HC14 | 104.6° | 109.4° |
| C14 | C22 | C23 | 110.5° | 109.4° |
| C14 | C22 | H222 | 109.2° | 109.4° |
| C14 | C22 | H221 | 109.2° | 109.5° |
| C22 | C14 | HC14 | 104.4° | 109.5° |
| C16 | C15 | C21 | 119.6° | 120.1° |
| C15 | C16 | C17 | 121.0° | 120.1° |
| C15 | C16 | HC16 | 119.5° | 119.9° |
| C15 | C21 | C20 | 117.9° | 120.0° |
| C15 | C21 | HC21 | 121.0° | 120.0° |
| C16 | C17 | C18 | 118.2° | 120.0° |
| C17 | C16 | HC16 | 119.5° | 120.0° |
| C16 | C17 | HC17 | 120.9° | 120.0° |
| C17 | C18 | C20 | 121.9° | 119.8° |
| C17 | C18 | O3 | 127.8° | 131.6° |
| C18 | C17 | HC17 | 120.9° | 120.0° |
| C20 | C18 | O3 | 110.2° | 108.6° |
| C18 | C20 | C21 | 121.3° | 119.8° |
| C18 | C20 | O4 | 108.7° | 108.6° |
| C18 | O3 | C19 | 106.3° | 105.5° |
| O3 | C19 | O4 | 107.6° | 103.8° |
| O3 | C19 | H191 | 109.9° | 110.6° |
| O3 | C19 | H192 | 109.9° | 110.6° |
| C19 | O4 | C20 | 106.3° | 105.5° |
| O4 | C19 | H191 | 109.9° | 110.6° |
| O4 | C19 | H192 | 109.9° | 110.6° |
| C3 | C2 | C7 | 109.5° | 110.2° |
| C3 | C2 | N1 | 113.6° | 109.3° |
| C2 | C3 | C4 | 119.0° | 124.1° |
| C3 | C2 | HC2 | 107.8° | 109.3° |
| C2 | C3 | HC3 | 120.5° | 118.0° |
| C7 | C2 | N1 | 110.3° | 109.4° |
| C2 | C7 | C6 | 115.0° | 108.5° |
| C7 | C2 | HC2 | 107.0° | 109.4° |
| C2 | C7 | H72 | 108.1° | 109.6° |
| C2 | C7 | H71 | 108.1° | 109.7° |
| N1 | C2 | HC2 | 108.5° | 109.2° |
| C2 | N1 | HN1 | 117.7° | 120.0° |
| C21 | C20 | O4 | 130.0° | 131.5° |
| C20 | C21 | HC21 | 121.0° | 120.0° |
| C22 | C23 | O5 | 114.6° | 120.0° |
| C22 | C23 | O6 | 122.3° | 120.0° |
| C23 | C22 | H222 | 109.2° | 109.5° |
| C23 | C22 | H221 | 109.2° | 109.5° |
| O5 | C23 | O6 | 123.1° | 120.0° |
| C23 | O5 | H1 | 109.5° | 117.0° |
| C24 | C25 | C26 | 120.9° | 119.7° |
| C25 | C24 | HC24 | 119.1° | 119.5° |
| C24 | C25 | HC25 | 119.6° | 120.2° |
| C25 | C26 | C27 | 119.5° | 121.2° |
| C26 | C25 | HC25 | 119.6° | 120.2° |
| C26 | C27 | C28 | 119.0° | 119.7° |
| C26 | C27 | HC27 | 120.5° | 120.1° |
| C27 | C28 | C9 | 122.4° | 121.0° |
| C28 | C27 | HC27 | 120.5° | 120.1° |
| C27 | C28 | HC28 | 118.8° | 119.5° |
| C28 | C9 | O2 | 112.9° | 119.6° |
| C9 | C28 | HC28 | 118.8° | 119.5° |
| C3 | C4 | C5 | 120.4° | 124.1° |
| C3 | C4 | HC4 | 119.8° | 117.9° |
| C4 | C3 | HC3 | 120.5° | 117.9° |
| C4 | C5 | C6 | 107.1° | 110.1° |
| C5 | C4 | HC4 | 119.8° | 118.0° |
| C4 | C5 | H52 | 110.0° | 109.4° |
| C4 | C5 | H51 | 110.1° | 109.4° |
| C5 | C6 | C7 | 112.3° | 108.4° |
| C6 | C5 | H52 | 110.1° | 109.4° |
| C6 | C5 | H51 | 110.0° | 109.3° |
| C5 | C6 | H61 | 108.8° | 109.6° |
| C5 | C6 | H62 | 108.8° | 109.6° |
| C6 | C7 | H72 | 108.0° | 109.6° |
| C6 | C7 | H71 | 108.1° | 109.8° |
| C7 | C6 | H61 | 108.8° | 109.6° |
| C7 | C6 | H62 | 108.8° | 109.7° |
| C8 | O2 | C9 | 121.6° | 117.0° |
| O2 | C8 | H82 | 111.0° | 109.5° |
| O2 | C8 | H81 | 111.0° | 109.5° |
| H52 | C5 | H51 | 109.5° | 109.3° |
| H72 | C7 | H71 | 109.5° | 109.6° |
| H191 | C19 | H192 | 109.5° | 110.6° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.9° |
| H82 | C8 | H81 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C1 | N1 | O1 | 179.8° | 179.7° |
| C8 | C1 | N1 | C2 | 179.1° | 180.0° |
| C1 | C8 | O2 | H82 | 119.0° | 120.0° |
| C1 | C8 | O2 | H81 | 119.0° | 120.0° |
| C1 | C8 | O2 | C9 | 54.1° | 180.0° |
| C1 | C8 | H82 | H81 | 122.9° | 120.0° |
| C8 | C1 | N1 | HN1 | 0.9° | 0.0° |
| C1 | N1 | C2 | C3 | 144.1° | 85.0° |
| C1 | N1 | C2 | C7 | 92.6° | 154.3° |
| C1 | N1 | C2 | HN1 | 180.0° | 180.0° |
| N1 | C1 | C8 | O2 | 133.4° | 180.0° |
| C1 | N1 | C2 | HC2 | 24.3° | 34.6° |
| N1 | C1 | C8 | H82 | 14.4° | 59.9° |
| N1 | C1 | C8 | H81 | 107.6° | 60.0° |
| O1 | C1 | N1 | C2 | 0.7° | 0.3° |
| O1 | C1 | C8 | O2 | 46.4° | 0.3° |
| O1 | C1 | C8 | H82 | 165.4° | 119.8° |
| O1 | C1 | C8 | H81 | 72.6° | 120.3° |
| O1 | C1 | N1 | HN1 | 179.3° | 179.7° |
| C11 | C10 | C9 | HC10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C26 | 179.9° | 179.9° |
| C10 | C11 | C12 | C13 | 179.6° | 179.9° |
| C10 | C11 | C26 | C25 | 180.0° | 180.0° |
| C10 | C11 | C26 | C27 | 0.3° | 0.2° |
| C11 | C10 | C9 | C28 | 0.2° | 0.3° |
| C11 | C10 | C9 | O2 | 179.6° | 180.0° |
| C10 | C11 | C12 | HC12 | 0.3° | 0.0° |
| C9 | C10 | C11 | C12 | 179.9° | 180.0° |
| C9 | C10 | C11 | C26 | 0.1° | 0.1° |
| C10 | C9 | C28 | C27 | 0.2° | 0.3° |
| C10 | C9 | C28 | O2 | 179.5° | 179.7° |
| C10 | C9 | O2 | C8 | 11.5° | 180.0° |
| C10 | C9 | C28 | HC28 | 179.8° | 179.7° |
| C11 | C12 | C13 | HC12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 179.5° | 180.0° |
| C11 | C12 | C13 | C24 | 0.1° | 0.0° |
| C12 | C11 | C26 | C25 | 0.1° | 0.0° |
| C12 | C11 | C26 | C27 | 179.6° | 179.7° |
| C12 | C11 | C10 | HC10 | 0.0° | 0.1° |
| C26 | C11 | C12 | C13 | 0.3° | 0.0° |
| C11 | C26 | C25 | C24 | 0.6° | 0.1° |
| C11 | C26 | C25 | C27 | 179.7° | 179.7° |
| C11 | C26 | C27 | C28 | 0.6° | 0.3° |
| C11 | C26 | C25 | HC25 | 179.4° | 180.0° |
| C11 | C26 | C27 | HC27 | 179.4° | 180.0° |
| C26 | C11 | C10 | HC10 | 179.9° | 180.0° |
| C26 | C11 | C12 | HC12 | 179.8° | 179.9° |
| C12 | C13 | C14 | C24 | 179.4° | 179.9° |
| C12 | C13 | C14 | C15 | 60.9° | 111.7° |
| C12 | C13 | C14 | C22 | 73.6° | 128.3° |
| C12 | C13 | C24 | C25 | 0.5° | 0.0° |
| C12 | C13 | C24 | HC24 | 179.5° | 180.0° |
| C12 | C13 | C14 | HC14 | 170.7° | 8.3° |
| C13 | C14 | C15 | C22 | 135.1° | 120.1° |
| C13 | C14 | C15 | HC14 | 109.6° | 120.0° |
| C13 | C14 | C22 | HC14 | 115.7° | 120.0° |
| C13 | C14 | C15 | C16 | 65.9° | 68.1° |
| C13 | C14 | C15 | C21 | 113.4° | 112.2° |
| C13 | C14 | C22 | C23 | 171.1° | 65.0° |
| C14 | C13 | C24 | C25 | 178.9° | 180.0° |
| C13 | C14 | C22 | H222 | 68.8° | 55.0° |
| C13 | C14 | C22 | H221 | 50.9° | 175.0° |
| C14 | C13 | C24 | HC24 | 1.1° | 0.1° |
| C14 | C13 | C12 | HC12 | 0.5° | 0.1° |
| C24 | C13 | C14 | C15 | 118.6° | 68.4° |
| C24 | C13 | C14 | C22 | 107.0° | 51.6° |
| C13 | C24 | C25 | HC24 | 180.0° | 180.0° |
| C13 | C24 | C25 | C26 | 0.9° | 0.0° |
| C13 | C24 | C25 | HC25 | 179.1° | 180.0° |
| C24 | C13 | C12 | HC12 | 180.0° | 180.0° |
| C24 | C13 | C14 | HC14 | 8.8° | 171.7° |
| C15 | C14 | C22 | HC14 | 115.4° | 119.9° |
| C14 | C15 | C16 | C21 | 179.3° | 179.8° |
| C14 | C15 | C16 | C17 | 180.0° | 179.8° |
| C14 | C15 | C21 | C20 | 179.8° | 179.8° |
| C15 | C14 | C22 | C23 | 60.0° | 175.0° |
| C14 | C15 | C16 | HC16 | 0.1° | 0.2° |
| C14 | C15 | C21 | HC21 | 0.2° | 0.2° |
| C15 | C14 | C22 | H222 | 60.2° | 65.1° |
| C15 | C14 | C22 | H221 | 179.9° | 55.0° |
| C22 | C14 | C15 | C16 | 159.0° | 52.0° |
| C22 | C14 | C15 | C21 | 21.7° | 127.8° |
| C14 | C22 | C23 | H222 | 120.2° | 119.9° |
| C14 | C22 | C23 | H221 | 120.1° | 120.0° |
| C14 | C22 | C23 | O5 | 33.1° | 180.0° |
| C14 | C22 | C23 | O6 | 147.8° | 0.0° |
| C14 | C22 | H222 | H221 | 119.5° | 120.0° |
| C15 | C16 | C17 | HC16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.1° |
| C16 | C15 | C21 | C20 | 0.6° | 0.0° |
| C16 | C15 | C21 | HC21 | 179.4° | 180.0° |
| C16 | C15 | C14 | HC14 | 43.7° | 171.9° |
| C15 | C16 | C17 | HC17 | 180.0° | 180.0° |
| C21 | C15 | C16 | C17 | 0.6° | 0.0° |
| C15 | C21 | C20 | C18 | 0.1° | 0.0° |
| C15 | C21 | C20 | HC21 | 180.0° | 180.0° |
| C15 | C21 | C20 | O4 | 179.6° | 180.0° |
| C21 | C15 | C16 | HC16 | 179.4° | 180.0° |
| C21 | C15 | C14 | HC14 | 137.0° | 7.8° |
| C16 | C17 | C18 | HC17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C20 | 0.7° | 0.1° |
| C16 | C17 | C18 | O3 | 179.3° | 180.0° |
| C17 | C18 | C20 | O3 | 178.9° | 179.9° |
| C17 | C18 | O3 | C19 | 173.5° | 162.8° |
| C17 | C18 | C20 | C21 | 0.7° | 0.1° |
| C17 | C18 | C20 | O4 | 179.7° | 180.0° |
| C18 | C17 | C16 | HC16 | 180.0° | 180.0° |
| C20 | C18 | O3 | C19 | 5.2° | 17.3° |
| C18 | C20 | O4 | C19 | 6.4° | 17.3° |
| C18 | C20 | C21 | O4 | 179.5° | 180.0° |
| C18 | C20 | C21 | HC21 | 179.9° | 179.9° |
| C20 | C18 | C17 | HC17 | 179.3° | 180.0° |
| C18 | O3 | C19 | O4 | 9.1° | 27.2° |
| O3 | C18 | C20 | C21 | 179.6° | 180.0° |
| O3 | C18 | C20 | O4 | 0.8° | 0.0° |
| C18 | O3 | C19 | H191 | 128.8° | 145.7° |
| C18 | O3 | C19 | H192 | 110.6° | 91.4° |
| O3 | C18 | C17 | HC17 | 0.7° | 0.1° |
| O3 | C19 | O4 | H191 | 119.7° | 118.6° |
| O3 | C19 | O4 | H192 | 119.7° | 118.6° |
| O3 | C19 | O4 | C20 | 9.6° | 27.1° |
| O3 | C19 | H191 | H192 | 120.9° | 122.8° |
| C19 | O4 | C20 | C21 | 174.0° | 162.7° |
| O4 | C19 | H191 | H192 | 120.9° | 122.8° |
| C3 | C2 | C7 | N1 | 125.7° | 120.2° |
| C3 | C2 | C7 | HC2 | 116.5° | 120.2° |
| C3 | C2 | N1 | HC2 | 119.8° | 119.6° |
| C2 | C3 | C4 | HC3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 18.5° | 0.5° |
| C3 | C2 | C7 | C6 | 24.9° | 49.4° |
| C2 | C3 | C4 | HC4 | 161.5° | 179.5° |
| C3 | C2 | C7 | H72 | 95.8° | 70.2° |
| C3 | C2 | C7 | H71 | 145.7° | 169.4° |
| C3 | C2 | N1 | HN1 | 35.9° | 95.0° |
| C7 | C2 | N1 | HC2 | 116.9° | 119.7° |
| C7 | C2 | C3 | C4 | 50.1° | 17.2° |
| C2 | C7 | C6 | C5 | 25.7° | 67.4° |
| C2 | C7 | C6 | H72 | 120.8° | 119.7° |
| C2 | C7 | C6 | H71 | 120.8° | 119.9° |
| C2 | C7 | H72 | H71 | 117.5° | 120.4° |
| C7 | C2 | C3 | HC3 | 129.9° | 162.9° |
| C2 | C7 | C6 | H61 | 146.2° | 52.2° |
| C2 | C7 | C6 | H62 | 94.7° | 172.9° |
| C7 | C2 | N1 | HN1 | 87.4° | 25.7° |
| N1 | C2 | C3 | C4 | 173.8° | 137.4° |
| N1 | C2 | C7 | C6 | 150.6° | 169.6° |
| N1 | C2 | C7 | H72 | 29.8° | 50.0° |
| N1 | C2 | C7 | H71 | 88.6° | 70.4° |
| N1 | C2 | C3 | HC3 | 6.2° | 42.7° |
| C20 | O4 | C19 | H191 | 129.3° | 145.7° |
| C20 | O4 | C19 | H192 | 110.1° | 91.4° |
| O4 | C20 | C21 | HC21 | 0.4° | 0.0° |
| C22 | C23 | O5 | O6 | 179.1° | 179.9° |
| C23 | C22 | H222 | H221 | 119.6° | 120.1° |
| C23 | C22 | C14 | HC14 | 55.4° | 55.0° |
| C22 | C23 | O5 | H1 | 179.0° | 180.0° |
| O5 | C23 | C22 | H222 | 153.3° | 60.0° |
| O5 | C23 | C22 | H221 | 87.0° | 60.0° |
| O6 | C23 | C22 | H222 | 27.7° | 119.9° |
| O6 | C23 | C22 | H221 | 92.0° | 120.0° |
| O6 | C23 | O5 | H1 | 0.0° | 0.0° |
| C24 | C25 | C26 | HC25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 179.1° | 179.7° |
| C25 | C26 | C27 | C28 | 179.6° | 180.0° |
| C26 | C25 | C24 | HC24 | 179.1° | 179.9° |
| C25 | C26 | C27 | HC27 | 0.4° | 0.3° |
| C26 | C27 | C28 | HC27 | 180.0° | 179.7° |
| C26 | C27 | C28 | C9 | 0.6° | 0.0° |
| C27 | C26 | C25 | HC25 | 0.9° | 0.3° |
| C26 | C27 | C28 | HC28 | 179.4° | 180.0° |
| C27 | C28 | C9 | HC28 | 180.0° | 180.0° |
| C27 | C28 | C9 | O2 | 179.3° | 180.0° |
| C28 | C9 | O2 | C8 | 169.0° | 0.3° |
| C9 | C28 | C27 | HC27 | 179.4° | 179.7° |
| C28 | C9 | C10 | HC10 | 179.8° | 179.7° |
| C3 | C4 | C5 | HC4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 35.7° | 17.2° |
| C4 | C3 | C2 | HC2 | 65.9° | 103.1° |
| C3 | C4 | C5 | H52 | 83.9° | 137.4° |
| C3 | C4 | C5 | H51 | 155.3° | 103.0° |
| C4 | C5 | C6 | H52 | 119.6° | 120.2° |
| C4 | C5 | C6 | H51 | 119.6° | 120.2° |
| C4 | C5 | C6 | C7 | 55.9° | 49.4° |
| C4 | C5 | H52 | H51 | 121.1° | 119.7° |
| C5 | C4 | C3 | HC3 | 161.5° | 179.5° |
| C4 | C5 | C6 | H61 | 176.3° | 70.2° |
| C4 | C5 | C6 | H62 | 64.6° | 169.1° |
| C5 | C6 | C7 | H61 | 120.4° | 119.6° |
| C5 | C6 | C7 | H62 | 120.4° | 119.7° |
| C6 | C5 | C4 | HC4 | 144.3° | 162.9° |
| C6 | C5 | H52 | H51 | 121.1° | 119.6° |
| C5 | C6 | C7 | H72 | 146.6° | 52.3° |
| C5 | C6 | C7 | H71 | 95.0° | 172.8° |
| C5 | C6 | H61 | H62 | 118.7° | 120.5° |
| C6 | C7 | C2 | HC2 | 91.6° | 70.8° |
| C7 | C6 | C5 | H52 | 63.8° | 169.6° |
| C7 | C6 | C5 | H51 | 175.5° | 70.8° |
| C6 | C7 | H72 | H71 | 117.5° | 120.6° |
| C7 | C6 | H61 | H62 | 118.7° | 120.6° |
| O2 | C8 | H82 | H81 | 122.9° | 120.0° |
| O2 | C9 | C10 | HC10 | 0.4° | 0.0° |
| O2 | C9 | C28 | HC28 | 0.8° | 0.0° |
| C9 | O2 | C8 | H82 | 64.9° | 60.0° |
| C9 | O2 | C8 | H81 | 173.1° | 60.0° |
| HC2 | C2 | C7 | H72 | 147.7° | 169.6° |
| HC2 | C2 | C7 | H71 | 29.2° | 49.2° |
| HC2 | C2 | C3 | HC3 | 114.1° | 76.9° |
| HC2 | C2 | N1 | HN1 | 155.7° | 145.4° |
| HC4 | C4 | C5 | H52 | 96.1° | 42.7° |
| HC4 | C4 | C5 | H51 | 24.6° | 77.0° |
| HC4 | C4 | C3 | HC3 | 18.5° | 0.4° |
| H52 | C5 | C6 | H61 | 56.7° | 50.0° |
| H52 | C5 | C6 | H62 | 175.8° | 70.6° |
| H51 | C5 | C6 | H61 | 64.1° | 169.6° |
| H51 | C5 | C6 | H62 | 55.1° | 48.9° |
| H72 | C7 | C6 | H61 | 93.0° | 171.9° |
| H72 | C7 | C6 | H62 | 26.1° | 67.4° |
| H71 | C7 | C6 | H61 | 25.4° | 67.6° |
| H71 | C7 | C6 | H62 | 144.5° | 53.1° |
| HC16 | C16 | C17 | HC17 | 0.0° | 0.1° |
| H222 | C22 | C14 | HC14 | 175.5° | 175.0° |
| H221 | C22 | C14 | HC14 | 64.7° | 65.0° |
| HC24 | C24 | C25 | HC25 | 0.9° | 0.0° |
| HC27 | C27 | C28 | HC28 | 0.6° | 0.3° |
