SII
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | N1 | sing | 1.40Å | 1.35Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | N2 | sing | 1.47Å | 1.52Å | |
| C7 | C5 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | N1 | sing | 1.35Å | 1.47Å | |
| C8 | O1 | doub | 1.21Å | 1.22Å | |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | N3 | sing | 1.40Å | 1.35Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | F1 | sing | 1.35Å | 1.32Å | |
| C16 | C20 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.52Å | 1.54Å | |
| C19 | N2 | sing | 1.47Å | 1.48Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C20 | N2 | sing | 1.47Å | 1.51Å | |
| C21 | N4 | doub | 1.31Å | 1.30Å | |
| C21 | N5 | sing | 1.35Å | 1.47Å | |
| C21 | C17 | sing | 1.51Å | 1.53Å | |
| C22 | O2 | doub | 1.22Å | 1.23Å | |
| C22 | N3 | sing | 1.35Å | 1.37Å | |
| C22 | N4 | sing | 1.34Å | 1.34Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| N3 | C17 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| N5 | C25 | sing | 1.46Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C23 | C28 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.1° | 119.9° |
| C1 | C2 | C3 | 123.6° | 119.9° |
| C1 | C2 | N1 | 113.2° | 120.1° |
| C2 | C1 | H1 | 120.9° | 120.0° |
| C1 | C6 | C5 | 118.8° | 120.1° |
| C6 | C1 | H1 | 120.9° | 120.0° |
| C1 | C6 | H6 | 120.6° | 120.0° |
| C3 | C2 | N1 | 123.3° | 120.1° |
| C2 | C3 | C4 | 117.9° | 119.9° |
| C2 | C3 | H3 | 121.0° | 120.0° |
| C2 | N1 | C8 | 125.5° | 120.0° |
| C2 | N1 | HN1 | 117.3° | 120.0° |
| C3 | C4 | C5 | 118.5° | 120.1° |
| C4 | C3 | H3 | 121.1° | 120.1° |
| C3 | C4 | H4 | 120.8° | 120.0° |
| N2 | C7 | C5 | 114.7° | 109.5° |
| C7 | N2 | C19 | 114.6° | 111.0° |
| C7 | N2 | C20 | 112.0° | 111.0° |
| N2 | C7 | H7 | 107.8° | 109.5° |
| N2 | C7 | H7A | 106.6° | 109.5° |
| C7 | C5 | C4 | 119.9° | 119.9° |
| C7 | C5 | C6 | 116.9° | 120.0° |
| C5 | C7 | H7 | 107.8° | 109.5° |
| C5 | C7 | H7A | 106.6° | 109.4° |
| C9 | C8 | N1 | 118.4° | 120.0° |
| C9 | C8 | O1 | 119.0° | 120.0° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H9A | 109.4° | 109.5° |
| C8 | C9 | H9B | 109.5° | 109.4° |
| N1 | C8 | O1 | 122.6° | 120.0° |
| C8 | N1 | HN1 | 117.2° | 119.9° |
| C11 | C10 | C15 | 116.2° | 119.9° |
| C10 | C11 | C12 | 120.8° | 119.8° |
| C10 | C11 | N3 | 117.1° | 120.1° |
| C11 | C10 | H10 | 121.9° | 120.0° |
| C10 | C15 | C14 | 123.6° | 120.0° |
| C10 | C15 | F1 | 115.0° | 120.0° |
| C15 | C10 | H10 | 121.9° | 120.1° |
| C12 | C11 | N3 | 122.1° | 120.0° |
| C11 | C12 | C13 | 121.9° | 120.0° |
| C11 | C12 | H12 | 119.0° | 120.0° |
| C11 | N3 | C22 | 120.2° | 127.2° |
| C11 | N3 | C17 | 131.0° | 127.2° |
| C12 | C13 | C14 | 117.8° | 120.1° |
| C13 | C12 | H12 | 119.0° | 120.0° |
| C12 | C13 | H13 | 121.1° | 119.9° |
| C13 | C14 | C15 | 119.6° | 120.2° |
| C14 | C13 | H13 | 121.1° | 120.0° |
| C13 | C14 | H14 | 120.2° | 119.9° |
| C14 | C15 | F1 | 121.4° | 120.0° |
| C15 | C14 | H14 | 120.2° | 119.9° |
| C20 | C16 | C17 | 111.4° | 109.4° |
| C16 | C20 | N2 | 119.6° | 109.5° |
| C20 | C16 | H16 | 108.8° | 109.5° |
| C20 | C16 | H16A | 108.4° | 109.5° |
| C16 | C20 | H20 | 106.2° | 109.5° |
| C16 | C20 | H20A | 103.9° | 109.5° |
| C16 | C17 | C21 | 110.2° | 110.6° |
| C16 | C17 | N3 | 114.0° | 110.5° |
| C16 | C17 | C18 | 111.0° | 110.5° |
| C17 | C16 | H16 | 108.8° | 109.5° |
| C17 | C16 | H16A | 108.4° | 109.5° |
| N2 | C19 | C18 | 110.1° | 109.5° |
| C19 | N2 | C20 | 114.6° | 111.3° |
| N2 | C19 | H19 | 109.3° | 109.5° |
| N2 | C19 | H19A | 109.1° | 109.5° |
| C19 | C18 | C17 | 116.3° | 109.3° |
| C18 | C19 | H19 | 109.3° | 109.4° |
| C18 | C19 | H19A | 109.1° | 109.4° |
| C19 | C18 | H18 | 107.2° | 109.5° |
| C19 | C18 | H18A | 105.7° | 109.5° |
| N2 | C20 | H20 | 106.2° | 109.5° |
| N2 | C20 | H20A | 103.8° | 109.5° |
| N4 | C21 | N5 | 120.9° | 127.0° |
| N4 | C21 | C17 | 112.8° | 105.9° |
| C21 | N4 | C22 | 107.1° | 112.4° |
| N5 | C21 | C17 | 124.1° | 127.0° |
| C21 | N5 | C25 | 139.9° | 120.0° |
| C21 | N5 | HN5 | 110.1° | 120.0° |
| C21 | C17 | N3 | 97.9° | 103.9° |
| C21 | C17 | C18 | 107.6° | 110.6° |
| O2 | C22 | N3 | 125.5° | 123.9° |
| O2 | C22 | N4 | 122.3° | 124.0° |
| N3 | C22 | N4 | 112.2° | 112.1° |
| C22 | N3 | C17 | 108.7° | 105.6° |
| C23 | C24 | C25 | 110.4° | 109.5° |
| C24 | C23 | C28 | 113.6° | 109.5° |
| C23 | C24 | H24 | 109.2° | 109.5° |
| C23 | C24 | H24A | 108.9° | 109.5° |
| C24 | C23 | H23 | 108.1° | 109.5° |
| C24 | C23 | H23A | 107.2° | 109.5° |
| C24 | C25 | N5 | 125.1° | 109.5° |
| C24 | C25 | C26 | 112.0° | 109.5° |
| C25 | C24 | H24 | 109.2° | 109.5° |
| C25 | C24 | H24A | 109.0° | 109.5° |
| C24 | C25 | H25 | 93.8° | 109.5° |
| C26 | C27 | C28 | 115.7° | 109.5° |
| C27 | C26 | C25 | 117.5° | 109.5° |
| C26 | C27 | H27 | 107.4° | 109.5° |
| C26 | C27 | H27A | 106.0° | 109.4° |
| C27 | C26 | H26 | 106.9° | 109.5° |
| C27 | C26 | H26A | 105.0° | 109.5° |
| C27 | C28 | C23 | 118.0° | 109.4° |
| C28 | C27 | H27 | 107.4° | 109.5° |
| C28 | C27 | H27A | 106.0° | 109.5° |
| C27 | C28 | H28 | 106.7° | 109.5° |
| C27 | C28 | H28A | 104.7° | 109.5° |
| N3 | C17 | C18 | 115.2° | 110.5° |
| C4 | C5 | C6 | 123.2° | 120.1° |
| C5 | C4 | H4 | 120.8° | 119.9° |
| C5 | C6 | H6 | 120.6° | 119.9° |
| N5 | C25 | C26 | 105.1° | 109.5° |
| C25 | N5 | HN5 | 110.1° | 120.0° |
| N5 | C25 | H25 | 102.5° | 109.5° |
| C17 | C18 | H18 | 107.2° | 109.5° |
| C17 | C18 | H18A | 105.7° | 109.4° |
| C28 | C23 | H23 | 108.1° | 109.5° |
| C28 | C23 | H23A | 107.2° | 109.4° |
| C23 | C28 | H28 | 106.8° | 109.5° |
| C23 | C28 | H28A | 104.8° | 109.5° |
| C26 | C25 | H25 | 118.6° | 109.4° |
| C25 | C26 | H26 | 106.9° | 109.4° |
| C25 | C26 | H26A | 105.1° | 109.5° |
| H7 | C7 | H7A | 113.6° | 109.4° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| H16 | C16 | H16A | 111.0° | 109.5° |
| H19 | C19 | H19A | 110.0° | 109.5° |
| H20 | C20 | H20A | 117.8° | 109.5° |
| H24 | C24 | H24A | 110.2° | 109.4° |
| H27 | C27 | H27A | 114.5° | 109.5° |
| H18 | C18 | H18A | 115.0° | 109.6° |
| H23 | C23 | H23A | 112.7° | 109.5° |
| H26 | C26 | H26A | 115.9° | 109.5° |
| H28 | C28 | H28A | 116.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | N1 | 178.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | N1 | C8 | 143.9° | 26.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C1 | C2 | N1 | HN1 | 36.1° | 154.0° |
| C2 | C1 | C6 | H6 | 179.6° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.1° |
| C6 | C1 | C2 | N1 | 179.4° | 179.9° |
| C1 | C6 | C5 | C7 | 178.1° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C3 | C2 | N1 | C8 | 35.1° | 154.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | C1 | H1 | 179.6° | 179.8° |
| C3 | C2 | N1 | HN1 | 144.9° | 26.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| N1 | C2 | C3 | C4 | 179.1° | 180.0° |
| C2 | N1 | C8 | C9 | 164.0° | 174.2° |
| C2 | N1 | C8 | HN1 | 180.0° | 180.0° |
| C2 | N1 | C8 | O1 | 16.9° | 5.8° |
| N1 | C2 | C1 | H1 | 0.6° | 0.2° |
| N1 | C2 | C3 | H3 | 0.9° | 0.0° |
| C3 | C4 | C5 | C7 | 178.3° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| N2 | C7 | C5 | H7 | 120.0° | 120.0° |
| N2 | C7 | C5 | H7A | 117.7° | 120.0° |
| C7 | N2 | C20 | C16 | 176.0° | 173.6° |
| C7 | N2 | C19 | C20 | 131.5° | 124.2° |
| C7 | N2 | C19 | C18 | 178.0° | 173.6° |
| N2 | C7 | C5 | C4 | 93.0° | 90.0° |
| N2 | C7 | C5 | C6 | 85.4° | 90.0° |
| N2 | C7 | H7 | H7A | 117.9° | 120.0° |
| C7 | N2 | C19 | H19 | 58.0° | 66.4° |
| C7 | N2 | C19 | H19A | 62.2° | 53.6° |
| C7 | N2 | C20 | H20 | 56.0° | 66.4° |
| C7 | N2 | C20 | H20A | 68.9° | 53.6° |
| C5 | C7 | N2 | C19 | 70.3° | 170.0° |
| C5 | C7 | N2 | C20 | 62.4° | 65.7° |
| C7 | C5 | C4 | C6 | 178.2° | 179.9° |
| C5 | C7 | H7 | H7A | 117.9° | 120.0° |
| C7 | C5 | C4 | H4 | 1.7° | 0.0° |
| C7 | C5 | C6 | H6 | 1.9° | 0.0° |
| C9 | C8 | N1 | O1 | 179.2° | 179.9° |
| C8 | C9 | H9 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9B | 120.0° | 120.0° |
| C8 | C9 | H9A | H9B | 120.0° | 119.9° |
| C9 | C8 | N1 | HN1 | 16.0° | 5.9° |
| N1 | C8 | C9 | H9 | 132.9° | 0.0° |
| N1 | C8 | C9 | H9A | 107.1° | 120.0° |
| N1 | C8 | C9 | H9B | 12.9° | 120.0° |
| O1 | C8 | C9 | H9 | 47.9° | 179.9° |
| O1 | C8 | C9 | H9A | 72.1° | 59.9° |
| O1 | C8 | C9 | H9B | 167.9° | 60.0° |
| O1 | C8 | N1 | HN1 | 163.1° | 174.2° |
| C11 | C10 | C15 | H10 | 180.0° | 179.8° |
| C10 | C11 | C12 | N3 | 177.6° | 180.0° |
| C10 | C11 | C12 | C13 | 1.0° | 0.0° |
| C11 | C10 | C15 | C14 | 0.7° | 0.0° |
| C11 | C10 | C15 | F1 | 179.7° | 180.0° |
| C10 | C11 | N3 | C22 | 86.0° | 0.0° |
| C10 | C11 | N3 | C17 | 97.2° | 180.0° |
| C10 | C11 | C12 | H12 | 179.0° | 180.0° |
| C15 | C10 | C11 | C12 | 1.1° | 0.0° |
| C15 | C10 | C11 | N3 | 178.8° | 179.9° |
| C10 | C15 | C14 | C13 | 0.1° | 0.0° |
| C10 | C15 | C14 | F1 | 179.6° | 180.0° |
| C10 | C15 | C14 | H14 | 179.9° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C12 | C11 | N3 | C22 | 91.7° | 180.0° |
| C12 | C11 | N3 | C17 | 85.2° | 0.1° |
| C12 | C11 | C10 | H10 | 179.0° | 179.8° |
| C11 | C12 | C13 | H13 | 179.6° | 180.0° |
| N3 | C11 | C12 | C13 | 178.6° | 180.0° |
| C11 | N3 | C17 | C16 | 61.5° | 61.4° |
| C11 | N3 | C17 | C21 | 177.8° | 179.9° |
| C11 | N3 | C22 | O2 | 7.4° | 0.0° |
| C11 | N3 | C22 | C17 | 177.5° | 180.0° |
| C11 | N3 | C22 | N4 | 171.5° | 179.9° |
| C11 | N3 | C17 | C18 | 68.5° | 61.3° |
| N3 | C11 | C10 | H10 | 1.3° | 0.3° |
| N3 | C11 | C12 | H12 | 1.4° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C12 | C13 | C14 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | F1 | 179.8° | 180.0° |
| C14 | C13 | C12 | H12 | 179.6° | 180.0° |
| C14 | C15 | C10 | H10 | 179.4° | 179.7° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| F1 | C15 | C10 | H10 | 0.3° | 0.2° |
| F1 | C15 | C14 | H14 | 0.2° | 0.1° |
| C20 | C16 | C17 | H16 | 120.0° | 120.0° |
| C20 | C16 | C17 | H16A | 119.2° | 119.9° |
| C16 | C20 | N2 | C19 | 43.2° | 62.2° |
| C16 | C20 | N2 | H20 | 120.0° | 120.0° |
| C16 | C20 | N2 | H20A | 115.1° | 120.0° |
| C20 | C16 | C17 | C21 | 162.3° | 179.0° |
| C20 | C16 | C17 | N3 | 88.8° | 66.5° |
| C20 | C16 | C17 | C18 | 43.2° | 56.2° |
| C20 | C16 | H16 | H16A | 119.2° | 120.0° |
| C16 | C20 | H20 | H20A | 115.8° | 120.0° |
| C16 | C17 | C18 | C19 | 53.4° | 56.2° |
| C17 | C16 | C20 | N2 | 40.7° | 58.3° |
| C16 | C17 | C21 | N4 | 111.7° | 118.6° |
| C16 | C17 | C21 | N5 | 51.4° | 61.4° |
| C16 | C17 | C21 | N3 | 119.2° | 118.6° |
| C16 | C17 | C21 | C18 | 121.2° | 122.8° |
| C16 | C17 | N3 | C22 | 115.6° | 118.6° |
| C16 | C17 | N3 | C18 | 130.0° | 122.7° |
| C17 | C16 | H16 | H16A | 119.2° | 120.1° |
| C17 | C16 | C20 | H20 | 79.3° | 61.7° |
| C17 | C16 | C20 | H20A | 155.7° | 178.2° |
| C16 | C17 | C18 | H18 | 173.3° | 176.1° |
| C16 | C17 | C18 | H18A | 63.5° | 63.8° |
| N2 | C19 | C18 | H19 | 120.0° | 120.0° |
| N2 | C19 | C18 | H19A | 119.7° | 120.0° |
| N2 | C19 | C18 | C17 | 54.2° | 58.2° |
| C19 | N2 | C7 | H7 | 169.7° | 50.0° |
| C19 | N2 | C7 | H7A | 47.3° | 70.0° |
| N2 | C19 | H19 | H19A | 119.7° | 120.1° |
| C19 | N2 | C20 | H20 | 76.8° | 57.8° |
| C19 | N2 | C20 | H20A | 158.3° | 177.8° |
| N2 | C19 | C18 | H18 | 174.2° | 178.1° |
| N2 | C19 | C18 | H18A | 62.6° | 61.7° |
| C18 | C19 | N2 | C20 | 46.5° | 62.2° |
| C19 | C18 | C17 | C21 | 174.0° | 179.0° |
| C19 | C18 | C17 | N3 | 78.1° | 66.5° |
| C19 | C18 | C17 | H18 | 120.0° | 119.9° |
| C19 | C18 | C17 | H18A | 116.8° | 119.9° |
| C18 | C19 | H19 | H19A | 119.7° | 120.0° |
| C19 | C18 | H18 | H18A | 117.2° | 120.1° |
| C20 | N2 | C7 | H7 | 57.6° | 174.3° |
| C20 | N2 | C7 | H7A | 179.9° | 54.3° |
| N2 | C20 | C16 | H16 | 79.3° | 61.8° |
| N2 | C20 | C16 | H16A | 159.9° | 178.2° |
| C20 | N2 | C19 | H19 | 73.5° | 57.8° |
| C20 | N2 | C19 | H19A | 166.2° | 177.8° |
| N2 | C20 | H20 | H20A | 115.8° | 120.0° |
| N4 | C21 | N5 | C17 | 161.9° | 180.0° |
| C21 | N4 | C22 | O2 | 170.2° | 180.0° |
| C21 | N4 | C22 | N3 | 10.9° | 0.0° |
| N4 | C21 | C17 | N3 | 7.5° | 0.0° |
| N4 | C21 | N5 | C25 | 39.9° | 0.1° |
| N4 | C21 | C17 | C18 | 127.1° | 118.6° |
| N4 | C21 | N5 | HN5 | 140.0° | 180.0° |
| N5 | C21 | N4 | C22 | 175.1° | 180.0° |
| C21 | N5 | C25 | C24 | 14.8° | 155.0° |
| N5 | C21 | C17 | N3 | 170.6° | 180.0° |
| C21 | N5 | C25 | HN5 | 180.0° | 180.0° |
| N5 | C21 | C17 | C18 | 69.7° | 61.3° |
| C21 | N5 | C25 | C26 | 116.9° | 85.0° |
| C21 | N5 | C25 | H25 | 118.5° | 35.0° |
| C21 | C17 | N3 | C22 | 0.6° | 0.0° |
| C17 | C21 | N4 | C22 | 11.4° | 0.0° |
| C21 | C17 | N3 | C18 | 113.7° | 118.6° |
| C17 | C21 | N5 | C25 | 158.2° | 180.0° |
| C21 | C17 | C16 | H16 | 42.3° | 59.0° |
| C21 | C17 | C16 | H16A | 78.5° | 61.1° |
| C17 | C21 | N5 | HN5 | 21.8° | 0.0° |
| C21 | C17 | C18 | H18 | 66.0° | 61.1° |
| C21 | C17 | C18 | H18A | 57.2° | 59.0° |
| O2 | C22 | N3 | N4 | 178.8° | 180.0° |
| O2 | C22 | N3 | C17 | 175.1° | 180.0° |
| C22 | N3 | C17 | C18 | 114.4° | 118.7° |
| N4 | C22 | N3 | C17 | 6.0° | 0.0° |
| C23 | C24 | C25 | H24 | 120.0° | 120.0° |
| C23 | C24 | C25 | H24A | 119.6° | 120.0° |
| C24 | C23 | C28 | C27 | 38.6° | 60.0° |
| C23 | C24 | C25 | N5 | 172.8° | 180.0° |
| C24 | C23 | C28 | H23 | 120.0° | 120.0° |
| C24 | C23 | C28 | H23A | 118.2° | 120.0° |
| C23 | C24 | C25 | C26 | 58.2° | 60.0° |
| C23 | C24 | H24 | H24A | 119.6° | 120.0° |
| C24 | C23 | H23 | H23A | 118.3° | 120.0° |
| C23 | C24 | C25 | H25 | 64.7° | 60.0° |
| C24 | C23 | C28 | H28 | 158.5° | 180.0° |
| C24 | C23 | C28 | H28A | 77.4° | 60.0° |
| C24 | C25 | C26 | C27 | 45.2° | 60.0° |
| C24 | C25 | N5 | C26 | 131.7° | 120.0° |
| C24 | C25 | N5 | H25 | 103.7° | 120.0° |
| C25 | C24 | C23 | C28 | 55.2° | 60.0° |
| C24 | C25 | C26 | H25 | 107.5° | 120.0° |
| C25 | C24 | H24 | H24A | 119.6° | 120.0° |
| C24 | C25 | N5 | HN5 | 165.3° | 25.0° |
| C25 | C24 | C23 | H23 | 175.2° | 180.0° |
| C25 | C24 | C23 | H23A | 63.0° | 60.0° |
| C24 | C25 | C26 | H26 | 74.9° | 60.0° |
| C24 | C25 | C26 | H26A | 161.4° | 180.0° |
| C26 | C27 | C28 | H27 | 120.0° | 120.0° |
| C26 | C27 | C28 | H27A | 117.2° | 120.0° |
| C27 | C26 | C25 | N5 | 176.1° | 180.0° |
| C26 | C27 | C28 | C23 | 24.0° | 60.0° |
| C27 | C26 | C25 | H26 | 120.0° | 120.0° |
| C27 | C26 | C25 | H26A | 116.3° | 120.0° |
| C26 | C27 | H27 | H27A | 117.5° | 120.0° |
| C27 | C26 | C25 | H25 | 62.4° | 60.0° |
| C27 | C26 | H26 | H26A | 116.7° | 120.0° |
| C26 | C27 | C28 | H28 | 144.0° | 180.0° |
| C26 | C27 | C28 | H28A | 92.0° | 60.0° |
| C27 | C28 | C23 | H28 | 120.0° | 120.0° |
| C27 | C28 | C23 | H28A | 116.0° | 120.0° |
| C28 | C27 | C26 | C25 | 27.4° | 60.0° |
| C28 | C27 | H27 | H27A | 117.5° | 120.0° |
| C27 | C28 | C23 | H23 | 158.6° | 180.0° |
| C27 | C28 | C23 | H23A | 79.6° | 60.0° |
| C28 | C27 | C26 | H26 | 92.6° | 60.0° |
| C28 | C27 | C26 | H26A | 143.7° | 180.0° |
| C27 | C28 | H28 | H28A | 116.5° | 120.0° |
| N3 | C17 | C16 | H16 | 151.2° | 173.5° |
| N3 | C17 | C16 | H16A | 30.4° | 53.4° |
| N3 | C17 | C18 | H18 | 41.9° | 53.4° |
| N3 | C17 | C18 | H18A | 165.1° | 173.5° |
| C5 | C4 | C3 | H3 | 179.9° | 179.9° |
| C4 | C5 | C7 | H7 | 27.0° | 30.1° |
| C4 | C5 | C7 | H7A | 149.3° | 150.0° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| C5 | C6 | C1 | H1 | 179.7° | 179.8° |
| C6 | C5 | C7 | H7 | 154.6° | 150.0° |
| C6 | C5 | C7 | H7A | 32.3° | 30.0° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| N5 | C25 | C26 | H25 | 113.7° | 120.0° |
| N5 | C25 | C24 | H24 | 52.8° | 60.0° |
| N5 | C25 | C24 | H24A | 67.6° | 60.0° |
| N5 | C25 | C26 | H26 | 63.9° | 60.0° |
| N5 | C25 | C26 | H26A | 59.8° | 60.0° |
| C18 | C17 | C16 | H16 | 76.8° | 63.8° |
| C18 | C17 | C16 | H16A | 162.5° | 176.1° |
| C17 | C18 | C19 | H19 | 65.8° | 61.8° |
| C17 | C18 | C19 | H19A | 174.0° | 178.2° |
| C17 | C18 | H18 | H18A | 117.2° | 120.0° |
| C28 | C23 | C24 | H24 | 175.2° | 180.0° |
| C28 | C23 | C24 | H24A | 64.4° | 60.0° |
| C23 | C28 | C27 | H27 | 96.0° | 60.0° |
| C23 | C28 | C27 | H27A | 141.2° | 180.0° |
| C28 | C23 | H23 | H23A | 118.3° | 120.0° |
| C23 | C28 | H28 | H28A | 116.6° | 120.0° |
| C26 | C25 | C24 | H24 | 178.2° | 180.0° |
| C26 | C25 | C24 | H24A | 61.4° | 60.0° |
| C25 | C26 | C27 | H27 | 92.5° | 60.1° |
| C25 | C26 | C27 | H27A | 144.6° | 180.0° |
| C26 | C25 | N5 | HN5 | 63.1° | 95.0° |
| C25 | C26 | H26 | H26A | 116.7° | 120.0° |
| H1 | C1 | C6 | H6 | 0.4° | 0.2° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| H12 | C12 | C13 | H13 | 0.4° | 0.0° |
| H13 | C13 | C14 | H14 | 0.0° | 0.1° |
| H16 | C16 | C20 | H20 | 160.7° | 178.2° |
| H16 | C16 | C20 | H20A | 35.7° | 58.2° |
| H16A | C16 | C20 | H20 | 39.9° | 58.2° |
| H16A | C16 | C20 | H20A | 85.1° | 61.8° |
| H19 | C19 | C18 | H18 | 54.2° | 58.1° |
| H19 | C19 | C18 | H18A | 177.4° | 178.3° |
| H19A | C19 | C18 | H18 | 66.1° | 61.9° |
| H19A | C19 | C18 | H18A | 57.1° | 58.3° |
| H24 | C24 | C23 | H23 | 64.8° | 60.0° |
| H24 | C24 | C23 | H23A | 57.0° | 60.1° |
| H24 | C24 | C25 | H25 | 55.3° | 60.0° |
| H24A | C24 | C23 | H23 | 55.6° | 60.0° |
| H24A | C24 | C23 | H23A | 177.4° | 180.0° |
| H24A | C24 | C25 | H25 | 175.7° | 180.0° |
| H27 | C27 | C26 | H26 | 147.5° | 180.0° |
| H27 | C27 | C26 | H26A | 23.8° | 60.0° |
| H27 | C27 | C28 | H28 | 24.0° | 60.0° |
| H27 | C27 | C28 | H28A | 148.0° | 180.0° |
| H27A | C27 | C26 | H26 | 24.6° | 60.0° |
| H27A | C27 | C26 | H26A | 99.1° | 60.0° |
| H27A | C27 | C28 | H28 | 98.8° | 60.0° |
| H27A | C27 | C28 | H28A | 25.1° | 60.0° |
| HN5 | N5 | C25 | H25 | 61.5° | 145.0° |
| H23 | C23 | C28 | H28 | 81.5° | 60.0° |
| H23 | C23 | C28 | H28A | 42.6° | 60.0° |
| H23A | C23 | C28 | H28 | 40.3° | 60.0° |
| H23A | C23 | C28 | H28A | 164.4° | 180.0° |
| H25 | C25 | C26 | H26 | 177.6° | 180.0° |
| H25 | C25 | C26 | H26A | 53.9° | 60.0° |
