A1BII
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | N1 | sing | 1.46Å | 1.48Å | |
| N1 | C4 | sing | 1.35Å | 1.40Å | |
| N1 | C13 | sing | 1.34Å | 1.39Å | |
| C4 | O1 | doub | 1.22Å | 1.23Å | |
| C4 | C5 | sing | 1.40Å | 1.42Å | |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | N3 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | N2 | sing | 1.33Å | 1.36Å | Aromatic |
| C6 | N4 | sing | 1.39Å | 1.38Å | |
| N2 | C7 | doub | 1.33Å | 1.33Å | Aromatic |
| C7 | N3 | sing | 1.37Å | 1.39Å | Aromatic |
| C7 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| N3 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.35Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | O2 | sing | 1.36Å | 1.38Å | |
| O2 | C12 | sing | 1.43Å | 1.42Å | |
| N4 | C13 | sing | 1.35Å | 1.38Å | |
| N4 | C14 | sing | 1.47Å | 1.48Å | |
| C13 | O3 | doub | 1.22Å | 1.22Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | N5 | sing | 1.46Å | 1.46Å | |
| N5 | C17 | sing | 1.35Å | 1.33Å | |
| C17 | O4 | doub | 1.22Å | 1.23Å | |
| C17 | C18 | sing | 1.48Å | 1.50Å | |
| C18 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | S1 | sing | 1.76Å | 1.75Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| S1 | O5 | doub | 1.42Å | 1.42Å | |
| S1 | O6 | doub | 1.42Å | 1.42Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| S1 | F1 | sing | 1.61Å | 1.60Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 110.8° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C1 | C2 | H4 | 109.2° | 109.4° |
| C1 | C2 | H5 | 109.1° | 109.5° |
| C2 | C3 | N1 | 113.1° | 109.5° |
| C3 | C2 | H4 | 109.2° | 109.5° |
| C3 | C2 | H5 | 109.2° | 109.5° |
| C2 | C3 | H7 | 108.6° | 109.5° |
| C2 | C3 | H6 | 108.6° | 109.5° |
| C3 | N1 | C4 | 116.8° | 119.5° |
| C3 | N1 | C13 | 119.0° | 119.4° |
| N1 | C3 | H7 | 108.5° | 109.4° |
| N1 | C3 | H6 | 108.5° | 109.4° |
| C4 | N1 | C13 | 124.2° | 121.1° |
| N1 | C4 | O1 | 119.3° | 120.3° |
| N1 | C4 | C5 | 115.5° | 119.4° |
| N1 | C13 | N4 | 118.1° | 121.6° |
| N1 | C13 | O3 | 120.8° | 119.2° |
| O1 | C4 | C5 | 125.1° | 120.3° |
| C4 | C5 | C6 | 120.6° | 119.1° |
| C4 | C5 | N3 | 133.3° | 134.3° |
| C6 | C5 | N3 | 106.1° | 106.6° |
| C5 | C6 | N2 | 109.4° | 107.9° |
| C5 | C6 | N4 | 120.9° | 118.7° |
| C5 | N3 | C7 | 106.1° | 106.8° |
| C5 | N3 | C8 | 132.1° | 132.5° |
| N2 | C6 | N4 | 129.7° | 133.4° |
| C6 | N2 | C7 | 107.7° | 109.9° |
| C6 | N4 | C13 | 120.7° | 120.0° |
| C6 | N4 | C14 | 121.5° | 120.0° |
| N2 | C7 | N3 | 110.6° | 108.9° |
| N2 | C7 | C11 | 130.6° | 131.4° |
| N3 | C7 | C11 | 118.7° | 119.7° |
| C7 | N3 | C8 | 121.8° | 120.7° |
| C7 | C11 | C10 | 118.9° | 119.3° |
| C7 | C11 | H10 | 120.6° | 120.4° |
| N3 | C8 | C9 | 119.4° | 121.0° |
| N3 | C8 | H8 | 120.3° | 119.5° |
| C8 | C9 | C10 | 120.3° | 120.0° |
| C9 | C8 | H8 | 120.3° | 119.5° |
| C8 | C9 | H9 | 119.8° | 120.0° |
| C9 | C10 | C11 | 120.9° | 119.3° |
| C9 | C10 | O2 | 115.6° | 120.3° |
| C10 | C9 | H9 | 119.9° | 120.0° |
| C11 | C10 | O2 | 123.5° | 120.4° |
| C10 | C11 | H10 | 120.5° | 120.4° |
| C10 | O2 | C12 | 118.5° | 116.9° |
| O2 | C12 | H12 | 109.5° | 109.4° |
| O2 | C12 | H13 | 109.5° | 109.5° |
| O2 | C12 | H11 | 109.5° | 109.5° |
| C13 | N4 | C14 | 117.8° | 120.0° |
| N4 | C13 | O3 | 121.1° | 119.2° |
| N4 | C14 | C15 | 113.8° | 109.4° |
| N4 | C14 | H14 | 108.4° | 109.4° |
| N4 | C14 | H15 | 108.4° | 109.5° |
| C14 | C15 | C16 | 112.3° | 109.5° |
| C14 | C15 | H17 | 108.8° | 109.5° |
| C14 | C15 | H16 | 108.7° | 109.5° |
| C15 | C14 | H14 | 108.4° | 109.5° |
| C15 | C14 | H15 | 108.4° | 109.5° |
| C15 | C16 | N5 | 113.0° | 109.5° |
| C16 | C15 | H17 | 108.8° | 109.5° |
| C16 | C15 | H16 | 108.8° | 109.4° |
| C15 | C16 | H19 | 108.6° | 109.5° |
| C15 | C16 | H18 | 108.6° | 109.4° |
| C16 | N5 | C17 | 121.5° | 120.0° |
| N5 | C16 | H19 | 108.6° | 109.5° |
| N5 | C16 | H18 | 108.6° | 109.5° |
| C16 | N5 | H20 | 119.2° | 120.0° |
| N5 | C17 | O4 | 121.9° | 119.9° |
| N5 | C17 | C18 | 117.3° | 120.0° |
| C17 | N5 | H20 | 119.3° | 120.0° |
| O4 | C17 | C18 | 120.7° | 120.0° |
| C17 | C18 | C19 | 119.7° | 120.2° |
| C17 | C18 | C23 | 121.4° | 120.1° |
| C19 | C18 | C23 | 118.9° | 119.7° |
| C18 | C19 | C20 | 120.8° | 119.9° |
| C18 | C19 | H21 | 119.6° | 120.1° |
| C18 | C23 | C22 | 120.7° | 119.9° |
| C18 | C23 | H24 | 119.6° | 120.0° |
| C19 | C20 | C21 | 119.5° | 120.1° |
| C19 | C20 | H22 | 120.2° | 119.9° |
| C20 | C19 | H21 | 119.6° | 120.0° |
| C20 | C21 | C22 | 120.4° | 120.3° |
| C20 | C21 | S1 | 119.7° | 119.9° |
| C21 | C20 | H22 | 120.2° | 120.0° |
| C22 | C21 | S1 | 119.8° | 119.8° |
| C21 | C22 | C23 | 119.6° | 120.1° |
| C21 | C22 | H23 | 120.2° | 119.9° |
| C21 | S1 | O5 | 109.5° | 106.4° |
| C21 | S1 | O6 | 109.9° | 106.4° |
| C21 | S1 | F1 | 104.5° | 107.2° |
| C23 | C22 | H23 | 120.2° | 119.9° |
| C22 | C23 | H24 | 119.6° | 120.1° |
| O5 | S1 | O6 | 120.3° | 123.1° |
| O5 | S1 | F1 | 103.8° | 106.4° |
| O6 | S1 | F1 | 107.6° | 106.4° |
| H17 | C15 | H16 | 109.4° | 109.5° |
| H3 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H12 | C12 | H13 | 109.4° | 109.5° |
| H12 | C12 | H11 | 109.5° | 109.5° |
| H13 | C12 | H11 | 109.5° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H19 | C16 | H18 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H7 | C3 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H4 | 120.2° | 120.0° |
| C1 | C2 | C3 | H5 | 120.2° | 120.0° |
| C1 | C2 | C3 | N1 | 178.4° | 180.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.1° |
| C2 | C1 | H3 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C1 | C2 | H4 | H5 | 119.4° | 119.9° |
| C1 | C2 | C3 | H7 | 61.1° | 60.0° |
| C1 | C2 | C3 | H6 | 57.9° | 60.0° |
| C2 | C3 | N1 | H7 | 120.5° | 120.0° |
| C2 | C3 | N1 | H6 | 120.5° | 120.0° |
| C2 | C3 | N1 | C4 | 90.3° | 90.0° |
| C2 | C3 | N1 | C13 | 90.3° | 90.3° |
| C3 | C2 | C1 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 60.0° | 59.9° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | H4 | H5 | 119.4° | 120.1° |
| C2 | C3 | H7 | H6 | 118.4° | 120.1° |
| C3 | N1 | C4 | C13 | 179.3° | 179.8° |
| C3 | N1 | C4 | O1 | 0.7° | 0.3° |
| C3 | N1 | C4 | C5 | 179.7° | 179.8° |
| C3 | N1 | C13 | N4 | 179.9° | 179.7° |
| C3 | N1 | C13 | O3 | 0.1° | 0.2° |
| N1 | C3 | C2 | H4 | 58.2° | 60.0° |
| N1 | C3 | C2 | H5 | 61.4° | 60.0° |
| N1 | C3 | H7 | H6 | 118.3° | 119.9° |
| N1 | C4 | O1 | C5 | 179.5° | 179.9° |
| N1 | C4 | C5 | C6 | 0.7° | 0.0° |
| N1 | C4 | C5 | N3 | 179.9° | 180.0° |
| C4 | N1 | C13 | N4 | 0.5° | 0.1° |
| C4 | N1 | C13 | O3 | 179.2° | 180.0° |
| C4 | N1 | C3 | H7 | 30.2° | 150.0° |
| C4 | N1 | C3 | H6 | 149.1° | 30.1° |
| C13 | N1 | C4 | O1 | 180.0° | 179.9° |
| C13 | N1 | C4 | C5 | 0.4° | 0.0° |
| N1 | C13 | N4 | C6 | 1.0° | 0.1° |
| N1 | C13 | N4 | O3 | 179.7° | 179.9° |
| N1 | C13 | N4 | C14 | 179.0° | 180.0° |
| C13 | N1 | C3 | H7 | 149.2° | 29.8° |
| C13 | N1 | C3 | H6 | 30.2° | 149.7° |
| O1 | C4 | C5 | C6 | 179.7° | 180.0° |
| O1 | C4 | C5 | N3 | 0.3° | 0.1° |
| C4 | C5 | C6 | N3 | 179.6° | 180.0° |
| C4 | C5 | C6 | N2 | 180.0° | 180.0° |
| C4 | C5 | C6 | N4 | 1.2° | 0.0° |
| C4 | C5 | N3 | C7 | 179.8° | 180.0° |
| C4 | C5 | N3 | C8 | 0.5° | 0.1° |
| C5 | C6 | N2 | N4 | 178.6° | 179.9° |
| C5 | C6 | N2 | C7 | 0.4° | 0.0° |
| C6 | C5 | N3 | C7 | 0.3° | 0.0° |
| C6 | C5 | N3 | C8 | 180.0° | 180.0° |
| C5 | C6 | N4 | C13 | 1.4° | 0.1° |
| C5 | C6 | N4 | C14 | 179.3° | 180.0° |
| N3 | C5 | C6 | N2 | 0.4° | 0.0° |
| N3 | C5 | C6 | N4 | 179.2° | 179.9° |
| C5 | N3 | C7 | N2 | 0.0° | 0.0° |
| C5 | N3 | C7 | C8 | 179.7° | 180.0° |
| C5 | N3 | C7 | C11 | 179.9° | 180.0° |
| C5 | N3 | C8 | C9 | 179.9° | 180.0° |
| C5 | N3 | C8 | H8 | 0.1° | 0.0° |
| C6 | N2 | C7 | N3 | 0.3° | 0.0° |
| C6 | N2 | C7 | C11 | 179.8° | 180.0° |
| N2 | C6 | N4 | C13 | 179.9° | 179.9° |
| N2 | C6 | N4 | C14 | 2.2° | 0.1° |
| N4 | C6 | N2 | C7 | 179.1° | 179.9° |
| C6 | N4 | C13 | C14 | 178.0° | 179.8° |
| C6 | N4 | C13 | O3 | 178.7° | 180.0° |
| C6 | N4 | C14 | C15 | 82.4° | 90.0° |
| C6 | N4 | C14 | H14 | 38.2° | 29.9° |
| C6 | N4 | C14 | H15 | 157.0° | 150.0° |
| N2 | C7 | N3 | C11 | 179.9° | 180.0° |
| N2 | C7 | N3 | C8 | 179.8° | 180.0° |
| N2 | C7 | C11 | C10 | 179.9° | 180.0° |
| N2 | C7 | C11 | H10 | 0.1° | 0.1° |
| C7 | N3 | C8 | C9 | 0.2° | 0.0° |
| N3 | C7 | C11 | C10 | 0.1° | 0.0° |
| C7 | N3 | C8 | H8 | 179.7° | 180.0° |
| N3 | C7 | C11 | H10 | 179.9° | 180.0° |
| C11 | C7 | N3 | C8 | 0.2° | 0.0° |
| C7 | C11 | C10 | C9 | 0.0° | 0.0° |
| C7 | C11 | C10 | H10 | 180.0° | 179.9° |
| C7 | C11 | C10 | O2 | 179.8° | 180.0° |
| N3 | C8 | C9 | H8 | 180.0° | 179.9° |
| N3 | C8 | C9 | C10 | 0.2° | 0.0° |
| N3 | C8 | C9 | H9 | 179.8° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | O2 | 179.9° | 180.0° |
| C9 | C10 | C11 | O2 | 179.8° | 180.0° |
| C9 | C10 | O2 | C12 | 178.8° | 180.0° |
| C10 | C9 | C8 | H8 | 179.8° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C11 | C10 | O2 | C12 | 1.4° | 0.0° |
| C11 | C10 | C9 | H9 | 179.9° | 180.0° |
| O2 | C10 | C11 | H10 | 0.2° | 0.1° |
| C10 | O2 | C12 | H12 | 180.0° | 180.0° |
| C10 | O2 | C12 | H13 | 60.0° | 60.0° |
| C10 | O2 | C12 | H11 | 60.0° | 60.0° |
| O2 | C10 | C9 | H9 | 0.1° | 0.0° |
| O2 | C12 | H12 | H13 | 120.0° | 120.0° |
| O2 | C12 | H12 | H11 | 120.0° | 120.0° |
| O2 | C12 | H13 | H11 | 120.0° | 120.0° |
| C13 | N4 | C14 | C15 | 99.6° | 90.1° |
| C13 | N4 | C14 | H14 | 139.8° | 149.9° |
| C13 | N4 | C14 | H15 | 21.0° | 29.9° |
| C14 | N4 | C13 | O3 | 0.7° | 0.1° |
| N4 | C14 | C15 | H14 | 120.7° | 119.9° |
| N4 | C14 | C15 | H15 | 120.7° | 120.0° |
| N4 | C14 | C15 | C16 | 172.4° | 180.0° |
| N4 | C14 | C15 | H17 | 67.1° | 60.0° |
| N4 | C14 | C15 | H16 | 52.0° | 60.1° |
| N4 | C14 | H14 | H15 | 118.0° | 120.0° |
| C14 | C15 | C16 | H17 | 120.4° | 120.0° |
| C14 | C15 | C16 | H16 | 120.4° | 120.0° |
| C14 | C15 | C16 | N5 | 61.9° | 180.0° |
| C14 | C15 | H17 | H16 | 118.7° | 120.0° |
| C15 | C14 | H14 | H15 | 118.0° | 120.1° |
| C14 | C15 | C16 | H19 | 58.6° | 59.9° |
| C14 | C15 | C16 | H18 | 177.6° | 60.0° |
| C15 | C16 | N5 | H19 | 120.5° | 120.0° |
| C15 | C16 | N5 | H18 | 120.5° | 120.0° |
| C15 | C16 | N5 | C17 | 114.4° | 180.0° |
| C16 | C15 | H17 | H16 | 118.7° | 120.0° |
| C16 | C15 | C14 | H14 | 51.8° | 60.1° |
| C16 | C15 | C14 | H15 | 66.9° | 60.0° |
| C15 | C16 | H19 | H18 | 118.4° | 119.9° |
| C15 | C16 | N5 | H20 | 65.6° | 0.0° |
| C16 | N5 | C17 | H20 | 180.0° | 180.0° |
| C16 | N5 | C17 | O4 | 5.2° | 0.0° |
| C16 | N5 | C17 | C18 | 170.4° | 180.0° |
| N5 | C16 | C15 | H17 | 177.6° | 60.0° |
| N5 | C16 | C15 | H16 | 58.5° | 60.0° |
| N5 | C16 | H19 | H18 | 118.4° | 120.0° |
| N5 | C17 | O4 | C18 | 175.5° | 180.0° |
| N5 | C17 | C18 | C19 | 179.4° | 180.0° |
| N5 | C17 | C18 | C23 | 0.6° | 0.5° |
| C17 | N5 | C16 | H19 | 6.1° | 60.0° |
| C17 | N5 | C16 | H18 | 125.1° | 60.0° |
| O4 | C17 | C18 | C19 | 3.8° | 0.0° |
| O4 | C17 | C18 | C23 | 175.1° | 179.5° |
| O4 | C17 | N5 | H20 | 174.8° | 180.0° |
| C17 | C18 | C19 | C23 | 178.9° | 179.5° |
| C17 | C18 | C19 | C20 | 179.4° | 180.0° |
| C17 | C18 | C23 | C22 | 179.4° | 179.7° |
| C17 | C18 | C19 | H21 | 0.6° | 0.5° |
| C17 | C18 | C23 | H24 | 0.6° | 0.2° |
| C18 | C17 | N5 | H20 | 9.6° | 0.0° |
| C18 | C19 | C20 | H21 | 180.0° | 179.4° |
| C18 | C19 | C20 | C21 | 0.6° | 0.0° |
| C19 | C18 | C23 | C22 | 0.5° | 0.7° |
| C18 | C19 | C20 | H22 | 179.4° | 179.8° |
| C19 | C18 | C23 | H24 | 179.5° | 179.7° |
| C23 | C18 | C19 | C20 | 0.6° | 0.5° |
| C18 | C23 | C22 | C21 | 0.6° | 0.4° |
| C18 | C23 | C22 | H24 | 180.0° | 179.5° |
| C18 | C23 | C22 | H23 | 179.4° | 179.5° |
| C23 | C18 | C19 | H21 | 179.4° | 179.9° |
| C19 | C20 | C21 | H22 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.6° | 0.3° |
| C19 | C20 | C21 | S1 | 180.0° | 179.8° |
| C20 | C21 | C22 | S1 | 179.4° | 179.9° |
| C20 | C21 | C22 | C23 | 0.6° | 0.1° |
| C20 | C21 | S1 | O5 | 152.0° | 90.0° |
| C20 | C21 | S1 | O6 | 17.8° | 137.1° |
| C20 | C21 | C22 | H23 | 179.4° | 180.0° |
| C21 | C20 | C19 | H21 | 179.4° | 179.4° |
| C20 | C21 | S1 | F1 | 97.4° | 23.5° |
| C21 | C22 | C23 | H23 | 180.0° | 179.9° |
| C22 | C21 | S1 | O5 | 28.7° | 90.1° |
| C22 | C21 | S1 | O6 | 162.8° | 42.8° |
| C22 | C21 | C20 | H22 | 179.3° | 180.0° |
| C21 | C22 | C23 | H24 | 179.4° | 180.0° |
| C22 | C21 | S1 | F1 | 82.0° | 156.4° |
| S1 | C21 | C22 | C23 | 180.0° | 180.0° |
| C21 | S1 | O5 | O6 | 128.7° | 123.0° |
| C21 | S1 | O5 | F1 | 111.1° | 114.1° |
| C21 | S1 | O6 | F1 | 113.2° | 114.1° |
| S1 | C21 | C20 | H22 | 0.0° | 0.0° |
| S1 | C21 | C22 | H23 | 0.0° | 0.1° |
| O5 | S1 | O6 | F1 | 118.3° | 122.9° |
| H8 | C8 | C9 | H9 | 0.3° | 0.0° |
| H17 | C15 | C14 | H14 | 172.2° | 59.9° |
| H17 | C15 | C14 | H15 | 53.5° | 180.0° |
| H17 | C15 | C16 | H19 | 61.9° | 180.0° |
| H17 | C15 | C16 | H18 | 57.1° | 60.0° |
| H16 | C15 | C14 | H14 | 68.7° | 180.0° |
| H16 | C15 | C14 | H15 | 172.6° | 60.0° |
| H16 | C15 | C16 | H19 | 179.0° | 60.0° |
| H16 | C15 | C16 | H18 | 62.0° | 180.0° |
| H22 | C20 | C19 | H21 | 0.6° | 0.3° |
| H23 | C22 | C23 | H24 | 0.6° | 0.1° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
| H3 | C1 | C2 | H4 | 59.8° | 60.0° |
| H3 | C1 | C2 | H5 | 59.8° | 59.9° |
| H1 | C1 | C2 | H4 | 60.2° | 60.1° |
| H1 | C1 | C2 | H5 | 179.8° | 180.0° |
| H2 | C1 | C2 | H4 | 179.8° | 179.9° |
| H2 | C1 | C2 | H5 | 60.2° | 60.1° |
| H12 | C12 | H13 | H11 | 120.0° | 120.0° |
| H19 | C16 | N5 | H20 | 173.9° | 120.0° |
| H18 | C16 | N5 | H20 | 54.9° | 120.0° |
| H4 | C2 | C3 | H7 | 178.7° | 60.0° |
| H4 | C2 | C3 | H6 | 62.3° | 180.0° |
| H5 | C2 | C3 | H7 | 59.1° | 180.0° |
| H5 | C2 | C3 | H6 | 178.1° | 60.0° |
