A1AAC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | doub | 1.35Å | 1.35Å | Aromatic |
| C25 | N6 | sing | 1.36Å | 1.38Å | Aromatic |
| C24 | C21 | sing | 1.41Å | 1.39Å | Aromatic |
| N8 | N6 | sing | 1.40Å | 1.39Å | Aromatic |
| N8 | C26 | doub | 1.31Å | 1.29Å | Aromatic |
| N6 | C23 | sing | 1.37Å | 1.39Å | Aromatic |
| C20 | C14 | sing | 1.51Å | 1.51Å | |
| C26 | N7 | sing | 1.33Å | 1.35Å | Aromatic |
| C21 | O2 | sing | 1.36Å | 1.34Å | |
| C21 | C22 | doub | 1.37Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.43Å | Aromatic |
| C23 | N7 | doub | 1.33Å | 1.30Å | Aromatic |
| O2 | C16 | sing | 1.36Å | 1.37Å | |
| C14 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.36Å | Aromatic |
| C16 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C17 | doub | 1.39Å | 1.36Å | Aromatic |
| C13 | N3 | sing | 1.40Å | 1.40Å | |
| N5 | C19 | sing | 1.32Å | 1.34Å | Aromatic |
| N5 | C11 | doub | 1.33Å | 1.37Å | Aromatic |
| C19 | N4 | doub | 1.31Å | 1.29Å | Aromatic |
| N3 | C11 | sing | 1.38Å | 1.36Å | |
| C11 | C7 | sing | 1.42Å | 1.41Å | Aromatic |
| N4 | C10 | sing | 1.34Å | 1.38Å | Aromatic |
| C7 | C10 | sing | 1.42Å | 1.44Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C9 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | C1 | sing | 1.53Å | 1.53Å | |
| C6 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | N2 | sing | 1.40Å | 1.39Å | |
| N1 | C5 | doub | 1.30Å | 1.30Å | |
| N1 | C1 | sing | 1.48Å | 1.46Å | |
| N2 | C5 | sing | 1.38Å | 1.37Å | |
| C5 | O1 | sing | 1.35Å | 1.36Å | |
| C1 | C3 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.55Å | 1.53Å | |
| O1 | C2 | sing | 1.44Å | 1.45Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | N6 | 119.3° | 120.7° |
| C25 | C24 | C21 | 121.9° | 120.1° |
| C25 | C24 | H13 | 119.1° | 120.0° |
| C24 | C25 | H24 | 120.3° | 119.6° |
| C25 | N6 | N8 | 135.0° | 133.1° |
| C25 | N6 | C23 | 119.4° | 120.7° |
| N6 | C25 | H24 | 120.4° | 119.7° |
| C24 | C21 | O2 | 115.2° | 120.3° |
| C24 | C21 | C22 | 121.3° | 119.5° |
| C21 | C24 | H13 | 119.0° | 119.9° |
| N6 | N8 | C26 | 106.6° | 107.1° |
| N8 | N6 | C23 | 105.5° | 106.2° |
| N8 | C26 | N7 | 111.5° | 109.7° |
| N8 | C26 | H14 | 124.3° | 125.1° |
| N6 | C23 | C22 | 121.6° | 119.8° |
| N6 | C23 | N7 | 108.8° | 107.4° |
| C20 | C14 | C16 | 122.2° | 120.0° |
| C20 | C14 | C15 | 120.7° | 120.0° |
| C14 | C20 | H9 | 109.5° | 109.5° |
| C14 | C20 | H10 | 109.5° | 109.5° |
| C14 | C20 | H11 | 109.5° | 109.5° |
| C26 | N7 | C23 | 107.5° | 109.6° |
| N7 | C26 | H14 | 124.2° | 125.2° |
| O2 | C21 | C22 | 123.5° | 120.2° |
| C21 | O2 | C16 | 119.1° | 118.0° |
| C21 | C22 | C23 | 116.5° | 119.2° |
| C21 | C22 | H12 | 121.8° | 120.4° |
| C22 | C23 | N7 | 129.5° | 132.8° |
| C23 | C22 | H12 | 121.8° | 120.4° |
| O2 | C16 | C14 | 118.5° | 120.0° |
| O2 | C16 | C18 | 121.2° | 120.0° |
| C16 | C14 | C15 | 117.1° | 120.0° |
| C14 | C16 | C18 | 120.2° | 120.0° |
| C14 | C15 | C13 | 122.4° | 120.0° |
| C14 | C15 | H7 | 118.8° | 120.0° |
| C16 | C18 | C17 | 122.3° | 120.0° |
| C16 | C18 | H22 | 118.8° | 120.0° |
| C15 | C13 | C17 | 120.9° | 120.0° |
| C15 | C13 | N3 | 120.9° | 120.1° |
| C13 | C15 | H7 | 118.8° | 120.0° |
| C18 | C17 | C13 | 117.0° | 120.0° |
| C18 | C17 | H8 | 121.5° | 120.0° |
| C17 | C18 | H22 | 118.9° | 119.9° |
| C17 | C13 | N3 | 118.0° | 120.0° |
| C13 | C17 | H8 | 121.5° | 120.0° |
| C13 | N3 | C11 | 125.9° | 120.1° |
| C13 | N3 | H2 | 117.1° | 119.9° |
| C19 | N5 | C11 | 121.9° | 121.5° |
| N5 | C19 | N4 | 122.8° | 122.9° |
| N5 | C19 | H23 | 118.6° | 118.5° |
| N5 | C11 | N3 | 119.4° | 120.9° |
| N5 | C11 | C7 | 118.7° | 118.2° |
| C19 | N4 | C10 | 120.1° | 120.5° |
| N4 | C19 | H23 | 118.6° | 118.5° |
| N3 | C11 | C7 | 122.0° | 121.0° |
| C11 | N3 | H2 | 117.1° | 120.0° |
| C11 | C7 | C10 | 116.1° | 118.2° |
| C11 | C7 | C8 | 124.0° | 122.0° |
| N4 | C10 | C7 | 120.3° | 118.7° |
| N4 | C10 | C12 | 122.3° | 121.8° |
| C10 | C7 | C8 | 119.9° | 119.8° |
| C7 | C10 | C12 | 117.3° | 119.5° |
| C7 | C8 | C6 | 120.1° | 119.3° |
| C7 | C8 | H6 | 120.0° | 120.4° |
| C10 | C12 | C9 | 121.7° | 119.9° |
| C10 | C12 | H21 | 119.2° | 120.1° |
| C8 | C6 | C9 | 120.3° | 120.6° |
| C8 | C6 | N2 | 123.7° | 119.7° |
| C6 | C8 | H6 | 119.9° | 120.3° |
| C12 | C9 | C6 | 120.7° | 120.9° |
| C12 | C9 | H20 | 119.6° | 119.6° |
| C9 | C12 | H21 | 119.2° | 120.1° |
| C4 | C1 | N1 | 106.2° | 110.9° |
| C4 | C1 | C3 | 109.1° | 110.8° |
| C4 | C1 | C2 | 113.2° | 110.9° |
| C1 | C4 | H3 | 109.5° | 109.5° |
| C1 | C4 | H4 | 109.5° | 109.5° |
| C1 | C4 | H5 | 109.5° | 109.5° |
| C9 | C6 | N2 | 116.0° | 119.7° |
| C6 | C9 | H20 | 119.7° | 119.5° |
| C6 | N2 | C5 | 127.1° | 120.0° |
| C6 | N2 | H1 | 116.5° | 119.9° |
| C5 | N1 | C1 | 106.2° | 108.4° |
| N1 | C5 | N2 | 130.7° | 123.0° |
| N1 | C5 | O1 | 116.5° | 113.9° |
| N1 | C1 | C3 | 109.5° | 110.9° |
| N1 | C1 | C2 | 105.7° | 102.0° |
| N2 | C5 | O1 | 112.7° | 123.1° |
| C5 | N2 | H1 | 116.4° | 120.0° |
| C5 | O1 | C2 | 107.6° | 107.7° |
| C3 | C1 | C2 | 112.9° | 110.9° |
| C1 | C3 | H17 | 109.5° | 109.4° |
| C1 | C3 | H18 | 109.5° | 109.4° |
| C1 | C3 | H19 | 109.5° | 109.4° |
| C1 | C2 | O1 | 102.4° | 101.4° |
| C1 | C2 | H15 | 111.2° | 111.0° |
| C1 | C2 | H16 | 111.2° | 111.1° |
| O1 | C2 | H15 | 111.2° | 111.0° |
| O1 | C2 | H16 | 111.2° | 111.1° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H3 | C4 | H5 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H9 | C20 | H11 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.4° | 109.4° |
| H15 | C2 | H16 | 109.4° | 111.0° |
| H17 | C3 | H18 | 109.5° | 109.5° |
| H17 | C3 | H19 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | N6 | H24 | 180.0° | 180.0° |
| C25 | C24 | C21 | H13 | 180.0° | 180.0° |
| C24 | C25 | N6 | N8 | 178.5° | 180.0° |
| C24 | C25 | N6 | C23 | 1.0° | 0.4° |
| C25 | C24 | C21 | O2 | 178.9° | 180.0° |
| C25 | C24 | C21 | C22 | 0.6° | 0.3° |
| N6 | C25 | C24 | C21 | 0.7° | 0.1° |
| C25 | N6 | N8 | C23 | 179.6° | 179.7° |
| C25 | N6 | N8 | C26 | 179.6° | 179.8° |
| C25 | N6 | C23 | C22 | 0.0° | 0.3° |
| C25 | N6 | C23 | N7 | 179.9° | 180.0° |
| N6 | C25 | C24 | H13 | 179.3° | 179.9° |
| C24 | C21 | O2 | C22 | 178.3° | 179.7° |
| C24 | C21 | C22 | C23 | 1.5° | 0.3° |
| C24 | C21 | O2 | C16 | 175.4° | 66.1° |
| C24 | C21 | C22 | H12 | 178.6° | 179.7° |
| C21 | C24 | C25 | H24 | 179.3° | 180.0° |
| N6 | N8 | C26 | N7 | 0.2° | 0.5° |
| N8 | N6 | C23 | C22 | 179.6° | 180.0° |
| N8 | N6 | C23 | N7 | 0.2° | 0.3° |
| N6 | N8 | C26 | H14 | 179.8° | 179.9° |
| N8 | N6 | C25 | H24 | 1.5° | 0.1° |
| C26 | N8 | N6 | C23 | 0.0° | 0.5° |
| N8 | C26 | N7 | H14 | 180.0° | 179.6° |
| N8 | C26 | N7 | C23 | 0.4° | 0.3° |
| N6 | C23 | N7 | C26 | 0.4° | 0.0° |
| N6 | C23 | C22 | C21 | 1.2° | 0.0° |
| N6 | C23 | C22 | N7 | 179.8° | 179.5° |
| N6 | C23 | C22 | H12 | 178.8° | 180.0° |
| C23 | N6 | C25 | H24 | 179.0° | 179.7° |
| C20 | C14 | C16 | O2 | 1.7° | 0.0° |
| C20 | C14 | C16 | C15 | 178.0° | 179.9° |
| C20 | C14 | C16 | C18 | 179.6° | 179.8° |
| C20 | C14 | C15 | C13 | 179.2° | 180.0° |
| C20 | C14 | C15 | H7 | 0.9° | 0.0° |
| C14 | C20 | H9 | H10 | 120.0° | 120.0° |
| C14 | C20 | H9 | H11 | 120.0° | 120.0° |
| C14 | C20 | H10 | H11 | 120.0° | 120.0° |
| C26 | N7 | C23 | C22 | 179.5° | 179.6° |
| O2 | C21 | C22 | C23 | 179.6° | 180.0° |
| C21 | O2 | C16 | C14 | 94.7° | 174.6° |
| C21 | O2 | C16 | C18 | 83.9° | 5.6° |
| O2 | C21 | C22 | H12 | 0.4° | 0.1° |
| O2 | C21 | C24 | H13 | 1.1° | 0.1° |
| C21 | C22 | C23 | H12 | 180.0° | 180.0° |
| C21 | C22 | C23 | N7 | 178.6° | 179.5° |
| C22 | C21 | O2 | C16 | 2.8° | 114.2° |
| C22 | C21 | C24 | H13 | 179.4° | 179.7° |
| N7 | C23 | C22 | H12 | 1.3° | 0.4° |
| C23 | N7 | C26 | H14 | 179.6° | 180.0° |
| O2 | C16 | C14 | C18 | 178.7° | 179.8° |
| O2 | C16 | C14 | C15 | 179.7° | 179.9° |
| O2 | C16 | C18 | C17 | 179.6° | 179.8° |
| O2 | C16 | C18 | H22 | 0.4° | 0.0° |
| C16 | C14 | C15 | C13 | 2.8° | 0.1° |
| C14 | C16 | C18 | C17 | 1.8° | 0.5° |
| C16 | C14 | C15 | H7 | 177.2° | 179.9° |
| C16 | C14 | C20 | H9 | 91.1° | 90.0° |
| C16 | C14 | C20 | H10 | 148.9° | 150.1° |
| C16 | C14 | C20 | H11 | 29.0° | 30.1° |
| C14 | C16 | C18 | H22 | 178.2° | 179.8° |
| C15 | C14 | C16 | C18 | 1.6° | 0.2° |
| C14 | C15 | C13 | H7 | 180.0° | 180.0° |
| C14 | C15 | C13 | C17 | 4.2° | 0.0° |
| C14 | C15 | C13 | N3 | 178.1° | 179.7° |
| C15 | C14 | C20 | H9 | 91.0° | 90.0° |
| C15 | C14 | C20 | H10 | 29.0° | 30.0° |
| C15 | C14 | C20 | H11 | 149.0° | 150.0° |
| C16 | C18 | C17 | H22 | 180.0° | 179.7° |
| C16 | C18 | C17 | C13 | 2.9° | 0.5° |
| C16 | C18 | C17 | H8 | 177.1° | 179.5° |
| C15 | C13 | C17 | C18 | 4.0° | 0.2° |
| C15 | C13 | C17 | N3 | 174.1° | 179.7° |
| C15 | C13 | N3 | C11 | 44.5° | 145.7° |
| C15 | C13 | N3 | H2 | 135.5° | 34.2° |
| C15 | C13 | C17 | H8 | 176.0° | 179.7° |
| C18 | C17 | C13 | H8 | 180.0° | 180.0° |
| C18 | C17 | C13 | N3 | 178.1° | 180.0° |
| C17 | C13 | N3 | C11 | 141.4° | 34.6° |
| C17 | C13 | N3 | H2 | 38.6° | 145.5° |
| C17 | C13 | C15 | H7 | 175.8° | 180.0° |
| C13 | C17 | C18 | H22 | 177.1° | 179.8° |
| C13 | N3 | C11 | N5 | 15.5° | 5.3° |
| C13 | N3 | C11 | H2 | 180.0° | 179.9° |
| C13 | N3 | C11 | C7 | 165.2° | 174.8° |
| N3 | C13 | C15 | H7 | 1.9° | 0.3° |
| N3 | C13 | C17 | H8 | 1.9° | 0.0° |
| N5 | C19 | N4 | H23 | 180.0° | 177.4° |
| C19 | N5 | C11 | N3 | 178.3° | 178.4° |
| C19 | N5 | C11 | C7 | 1.0° | 1.6° |
| N5 | C19 | N4 | C10 | 0.5° | 1.7° |
| C11 | N5 | C19 | N4 | 0.3° | 2.5° |
| N5 | C11 | N3 | C7 | 179.3° | 179.9° |
| N5 | C11 | C7 | C10 | 1.8° | 0.0° |
| N5 | C11 | C7 | C8 | 180.0° | 179.2° |
| N5 | C11 | N3 | H2 | 164.5° | 174.6° |
| C11 | N5 | C19 | H23 | 179.7° | 180.0° |
| C19 | N4 | C10 | C7 | 1.5° | 0.0° |
| C19 | N4 | C10 | C12 | 179.9° | 179.2° |
| N3 | C11 | C7 | C10 | 177.5° | 180.0° |
| N3 | C11 | C7 | C8 | 0.7° | 0.9° |
| C11 | C7 | C10 | N4 | 2.1° | 0.8° |
| C11 | C7 | C10 | C8 | 178.2° | 179.1° |
| C11 | C7 | C10 | C12 | 179.2° | 179.9° |
| C11 | C7 | C8 | C6 | 179.5° | 179.6° |
| C7 | C11 | N3 | H2 | 14.8° | 5.3° |
| C11 | C7 | C8 | H6 | 0.4° | 0.3° |
| N4 | C10 | C7 | C12 | 178.7° | 179.3° |
| N4 | C10 | C7 | C8 | 179.7° | 180.0° |
| N4 | C10 | C12 | C9 | 179.3° | 179.7° |
| N4 | C10 | C12 | H21 | 0.7° | 0.7° |
| C10 | N4 | C19 | H23 | 179.5° | 179.1° |
| C10 | C7 | C8 | C6 | 1.4° | 0.5° |
| C7 | C10 | C12 | C9 | 2.0° | 0.5° |
| C10 | C7 | C8 | H6 | 178.5° | 179.4° |
| C7 | C10 | C12 | H21 | 178.0° | 180.0° |
| C8 | C7 | C10 | C12 | 1.0° | 0.8° |
| C7 | C8 | C6 | H6 | 180.0° | 180.0° |
| C7 | C8 | C6 | C9 | 2.9° | 0.0° |
| C7 | C8 | C6 | N2 | 179.6° | 179.8° |
| C10 | C12 | C9 | H21 | 180.0° | 179.5° |
| C10 | C12 | C9 | C6 | 3.5° | 0.0° |
| C10 | C12 | C9 | H20 | 176.5° | 179.9° |
| C8 | C6 | C9 | C12 | 3.9° | 0.2° |
| C8 | C6 | C9 | N2 | 177.7° | 179.8° |
| C8 | C6 | N2 | C5 | 10.2° | 147.4° |
| C8 | C6 | C9 | H20 | 176.0° | 179.7° |
| C8 | C6 | N2 | H1 | 169.8° | 32.5° |
| C12 | C9 | C6 | H20 | 180.0° | 179.9° |
| C12 | C9 | C6 | N2 | 178.4° | 180.0° |
| C4 | C1 | N1 | C5 | 110.1° | 133.2° |
| C4 | C1 | N1 | C3 | 117.6° | 123.6° |
| C4 | C1 | N1 | C2 | 120.5° | 118.2° |
| C4 | C1 | C3 | C2 | 126.7° | 123.7° |
| C4 | C1 | C2 | O1 | 103.1° | 141.6° |
| C1 | C4 | H3 | H4 | 120.0° | 120.0° |
| C1 | C4 | H3 | H5 | 120.0° | 120.0° |
| C1 | C4 | H4 | H5 | 120.0° | 120.0° |
| C4 | C1 | C2 | H15 | 138.0° | 23.7° |
| C4 | C1 | C2 | H16 | 15.8° | 100.3° |
| C4 | C1 | C3 | H17 | 180.0° | 62.2° |
| C4 | C1 | C3 | H18 | 60.0° | 57.8° |
| C4 | C1 | C3 | H19 | 60.0° | 177.8° |
| C9 | C6 | N2 | C5 | 167.4° | 32.4° |
| C9 | C6 | C8 | H6 | 177.1° | 179.9° |
| C6 | C9 | C12 | H21 | 176.5° | 179.5° |
| C9 | C6 | N2 | H1 | 12.6° | 147.7° |
| C6 | N2 | C5 | N1 | 6.5° | 174.5° |
| C6 | N2 | C5 | H1 | 180.0° | 179.9° |
| C6 | N2 | C5 | O1 | 176.4° | 5.4° |
| N2 | C6 | C8 | H6 | 0.4° | 0.3° |
| N2 | C6 | C9 | H20 | 1.7° | 0.1° |
| N1 | C5 | N2 | O1 | 177.2° | 180.0° |
| C5 | N1 | C1 | C3 | 132.3° | 103.2° |
| C5 | N1 | C1 | C2 | 10.4° | 15.0° |
| N1 | C5 | O1 | C2 | 4.9° | 17.3° |
| N1 | C5 | N2 | H1 | 173.5° | 5.6° |
| C1 | N1 | C5 | N2 | 179.1° | 179.6° |
| C1 | N1 | C5 | O1 | 3.8° | 0.4° |
| N1 | C1 | C3 | C2 | 117.4° | 112.6° |
| N1 | C1 | C2 | O1 | 12.7° | 23.5° |
| N1 | C1 | C4 | H3 | 180.0° | 58.6° |
| N1 | C1 | C4 | H4 | 60.0° | 178.6° |
| N1 | C1 | C4 | H5 | 60.0° | 61.4° |
| N1 | C1 | C2 | H15 | 106.2° | 94.5° |
| N1 | C1 | C2 | H16 | 131.6° | 141.5° |
| N1 | C1 | C3 | H17 | 64.2° | 61.4° |
| N1 | C1 | C3 | H18 | 55.8° | 178.5° |
| N1 | C1 | C3 | H19 | 175.8° | 58.6° |
| N2 | C5 | O1 | C2 | 172.7° | 162.8° |
| C5 | O1 | C2 | C1 | 10.7° | 24.8° |
| C5 | O1 | C2 | H15 | 108.2° | 93.1° |
| C5 | O1 | C2 | H16 | 129.5° | 142.9° |
| O1 | C5 | N2 | H1 | 3.6° | 174.5° |
| C3 | C1 | C2 | O1 | 132.4° | 94.7° |
| C3 | C1 | C4 | H3 | 62.1° | 177.8° |
| C3 | C1 | C4 | H4 | 58.0° | 57.8° |
| C3 | C1 | C4 | H5 | 177.9° | 62.2° |
| C3 | C1 | C2 | H15 | 13.5° | 147.3° |
| C3 | C1 | C2 | H16 | 108.8° | 23.3° |
| C1 | C3 | H17 | H18 | 120.0° | 120.0° |
| C1 | C3 | H17 | H19 | 120.0° | 119.9° |
| C1 | C3 | H18 | H19 | 120.0° | 119.9° |
| C1 | C2 | O1 | H15 | 118.9° | 118.0° |
| C1 | C2 | O1 | H16 | 118.8° | 118.0° |
| C2 | C1 | C4 | H3 | 64.5° | 54.1° |
| C2 | C1 | C4 | H4 | 175.4° | 65.9° |
| C2 | C1 | C4 | H5 | 55.5° | 174.1° |
| C1 | C2 | H15 | H16 | 123.2° | 124.0° |
| C2 | C1 | C3 | H17 | 53.2° | 174.1° |
| C2 | C1 | C3 | H18 | 173.2° | 65.9° |
| C2 | C1 | C3 | H19 | 66.8° | 54.1° |
| O1 | C2 | H15 | H16 | 123.3° | 124.0° |
| H3 | C4 | H4 | H5 | 120.0° | 120.0° |
| H8 | C17 | C18 | H22 | 3.0° | 0.3° |
| H9 | C20 | H10 | H11 | 120.0° | 120.0° |
| H13 | C24 | C25 | H24 | 0.7° | 0.0° |
| H17 | C3 | H18 | H19 | 120.0° | 120.1° |
| H20 | C9 | C12 | H21 | 3.6° | 0.6° |
