A1LV6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | doub | 1.33Å | 1.31Å | Aromatic |
| N1 | C4 | sing | 1.32Å | 1.35Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | N6 | sing | 1.40Å | 1.44Å | |
| C2 | C3 | doub | 1.38Å | 1.36Å | Aromatic |
| C3 | N2 | sing | 1.32Å | 1.36Å | Aromatic |
| N2 | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | N3 | sing | 1.39Å | 1.41Å | |
| N3 | C5 | sing | 1.40Å | 1.44Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.44Å | Aromatic |
| C7 | C11 | sing | 1.47Å | 1.47Å | Aromatic |
| C8 | N4 | sing | 1.33Å | 1.33Å | Aromatic |
| C8 | N5 | sing | 1.38Å | 1.29Å | Aromatic |
| N4 | C9 | doub | 1.32Å | 1.37Å | Aromatic |
| N5 | C10 | sing | 1.35Å | 1.28Å | Aromatic |
| N5 | C12 | sing | 1.46Å | 1.50Å | |
| C10 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C13 | sing | 1.42Å | 1.51Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | O1 | doub | 1.21Å | 1.20Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| N6 | C17 | sing | 1.36Å | 1.36Å | Aromatic |
| N6 | N7 | sing | 1.40Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.35Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C21 | sing | 1.51Å | 1.56Å | |
| C19 | N7 | doub | 1.31Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C21 | N8 | sing | 1.47Å | 1.30Å | |
| N8 | C22 | sing | 1.49Å | 1.47Å | |
| N8 | C25 | sing | 1.49Å | 1.47Å | |
| C22 | C23 | sing | 1.54Å | 1.51Å | |
| C23 | C24 | sing | 1.54Å | 1.44Å | |
| C23 | O3 | sing | 1.43Å | 1.47Å | |
| C24 | C25 | sing | 1.54Å | 1.54Å | |
| C24 | O2 | sing | 1.43Å | 1.45Å | |
| O3 | C26 | sing | 1.43Å | 1.43Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.08Å | 1.08Å | |
| C9 | H29 | sing | 1.08Å | 1.08Å | |
| O2 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C4 | 116.1° | 120.6° |
| N1 | C1 | C2 | 124.1° | 119.1° |
| N1 | C1 | N6 | 114.2° | 120.4° |
| N1 | C4 | N2 | 122.7° | 121.7° |
| N1 | C4 | N3 | 119.9° | 119.2° |
| C2 | C1 | N6 | 121.3° | 120.5° |
| C1 | C2 | C3 | 118.1° | 118.5° |
| C1 | C2 | H24 | 120.9° | 120.7° |
| C1 | N6 | C17 | 127.5° | 126.1° |
| C1 | N6 | N7 | 121.2° | 126.1° |
| C2 | C3 | N2 | 118.3° | 119.3° |
| C3 | C2 | H24 | 120.9° | 120.8° |
| C2 | C3 | H28 | 120.9° | 120.3° |
| C3 | N2 | C4 | 120.6° | 120.9° |
| N2 | C3 | H28 | 120.8° | 120.4° |
| N2 | C4 | N3 | 117.2° | 119.1° |
| C4 | N3 | C5 | 128.7° | 120.0° |
| C4 | N3 | H1 | 115.7° | 120.0° |
| N3 | C5 | C6 | 124.0° | 120.4° |
| N3 | C5 | C9 | 113.8° | 120.5° |
| C5 | N3 | H1 | 115.7° | 120.0° |
| C6 | C5 | C9 | 122.2° | 119.1° |
| C5 | C6 | C7 | 117.2° | 118.0° |
| C5 | C6 | H2 | 121.4° | 121.1° |
| C5 | C9 | N4 | 122.1° | 121.5° |
| C5 | C9 | H29 | 119.0° | 119.3° |
| C6 | C7 | C8 | 118.0° | 119.8° |
| C6 | C7 | C11 | 139.9° | 134.2° |
| C7 | C6 | H2 | 121.4° | 120.9° |
| C8 | C7 | C11 | 102.1° | 106.0° |
| C7 | C8 | N4 | 124.2° | 119.8° |
| C7 | C8 | N5 | 106.0° | 107.5° |
| C7 | C11 | C10 | 108.4° | 106.1° |
| C7 | C11 | C13 | 121.6° | 127.0° |
| N4 | C8 | N5 | 129.8° | 132.7° |
| C8 | N4 | C9 | 116.2° | 121.8° |
| C8 | N5 | C10 | 119.4° | 110.8° |
| C8 | N5 | C12 | 122.5° | 124.6° |
| N4 | C9 | H29 | 118.9° | 119.3° |
| C10 | N5 | C12 | 118.0° | 124.6° |
| N5 | C10 | C11 | 104.1° | 109.6° |
| N5 | C10 | H3 | 128.0° | 125.2° |
| N5 | C12 | H18 | 109.5° | 109.5° |
| N5 | C12 | H19 | 109.5° | 109.5° |
| N5 | C12 | H20 | 109.4° | 109.4° |
| C10 | C11 | C13 | 130.0° | 126.9° |
| C11 | C10 | H3 | 128.0° | 125.2° |
| C11 | C13 | C14 | 114.4° | 120.0° |
| C11 | C13 | O1 | 120.8° | 120.0° |
| C14 | C13 | O1 | 124.8° | 120.0° |
| C13 | C14 | C15 | 116.9° | 117.5° |
| C13 | C14 | C16 | 113.3° | 117.5° |
| C13 | C14 | H21 | 117.9° | 115.6° |
| C15 | C14 | C16 | 59.6° | 60.0° |
| C14 | C15 | C16 | 60.2° | 60.0° |
| C14 | C15 | H4 | 120.0° | 117.5° |
| C14 | C15 | H5 | 120.0° | 117.5° |
| C15 | C14 | H21 | 118.0° | 117.5° |
| C14 | C16 | C15 | 60.2° | 60.0° |
| C16 | C14 | H21 | 118.0° | 117.5° |
| C14 | C16 | H22 | 119.9° | 117.5° |
| C14 | C16 | H23 | 120.0° | 117.5° |
| C16 | C15 | H4 | 120.0° | 117.5° |
| C16 | C15 | H5 | 120.0° | 117.5° |
| C15 | C16 | H22 | 119.9° | 117.5° |
| C15 | C16 | H23 | 120.0° | 117.5° |
| C17 | N6 | N7 | 111.0° | 107.8° |
| N6 | C17 | C18 | 107.2° | 107.6° |
| N6 | C17 | H6 | 126.4° | 126.2° |
| N6 | N7 | C19 | 104.5° | 108.3° |
| C17 | C18 | C19 | 105.1° | 108.0° |
| C17 | C18 | C21 | 125.2° | 126.0° |
| C18 | C17 | H6 | 126.4° | 126.2° |
| C19 | C18 | C21 | 129.7° | 126.0° |
| C18 | C19 | N7 | 112.0° | 108.4° |
| C18 | C19 | C20 | 129.8° | 125.8° |
| C18 | C21 | N8 | 109.9° | 109.5° |
| C18 | C21 | H10 | 109.4° | 109.4° |
| C18 | C21 | H11 | 109.4° | 109.4° |
| N7 | C19 | C20 | 118.2° | 125.8° |
| C19 | C20 | H7 | 109.5° | 109.5° |
| C19 | C20 | H8 | 109.5° | 109.5° |
| C19 | C20 | H9 | 109.5° | 109.5° |
| C21 | N8 | C22 | 109.4° | 111.0° |
| C21 | N8 | C25 | 119.0° | 111.1° |
| N8 | C21 | H10 | 109.3° | 109.5° |
| N8 | C21 | H11 | 109.3° | 109.5° |
| C22 | N8 | C25 | 107.5° | 104.2° |
| N8 | C22 | C23 | 106.7° | 104.6° |
| N8 | C22 | H12 | 110.1° | 110.5° |
| N8 | C22 | H13 | 110.1° | 110.5° |
| N8 | C25 | C24 | 102.3° | 104.6° |
| N8 | C25 | H26 | 111.2° | 110.4° |
| N8 | C25 | H27 | 111.2° | 110.5° |
| C22 | C23 | C24 | 106.6° | 105.1° |
| C22 | C23 | O3 | 110.1° | 110.3° |
| C23 | C22 | H12 | 110.2° | 110.4° |
| C23 | C22 | H13 | 110.2° | 110.4° |
| C22 | C23 | H25 | 110.3° | 110.3° |
| C24 | C23 | O3 | 107.5° | 110.3° |
| C23 | C24 | C25 | 106.7° | 105.1° |
| C23 | C24 | O2 | 115.7° | 110.3° |
| C23 | C24 | H14 | 107.8° | 110.4° |
| C24 | C23 | H25 | 111.3° | 110.3° |
| C23 | O3 | C26 | 116.9° | 114.0° |
| O3 | C23 | H25 | 110.9° | 110.4° |
| C25 | C24 | O2 | 112.1° | 110.4° |
| C25 | C24 | H14 | 106.6° | 110.3° |
| C24 | C25 | H26 | 111.2° | 110.4° |
| C24 | C25 | H27 | 111.3° | 110.4° |
| O2 | C24 | H14 | 107.6° | 110.3° |
| C24 | O2 | H31 | 109.5° | 114.0° |
| O3 | C26 | H15 | 109.5° | 109.5° |
| O3 | C26 | H16 | 109.5° | 109.5° |
| O3 | C26 | H17 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.4° | 115.5° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H7 | C20 | H9 | 109.4° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.4° | 110.4° |
| H15 | C26 | H16 | 109.5° | 109.4° |
| H15 | C26 | H17 | 109.4° | 109.5° |
| H16 | C26 | H17 | 109.5° | 109.4° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | H20 | 109.5° | 109.4° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 115.5° |
| H26 | C25 | H27 | 109.4° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | N6 | 172.5° | 180.0° |
| N1 | C1 | C2 | C3 | 2.4° | 0.0° |
| C1 | N1 | C4 | N2 | 3.3° | 0.0° |
| C1 | N1 | C4 | N3 | 179.5° | 180.0° |
| N1 | C1 | N6 | C17 | 0.9° | 0.0° |
| N1 | C1 | N6 | N7 | 175.3° | 179.6° |
| N1 | C1 | C2 | H24 | 177.6° | 180.0° |
| C4 | N1 | C1 | C2 | 3.0° | 0.0° |
| C4 | N1 | C1 | N6 | 175.9° | 180.0° |
| N1 | C4 | N2 | C3 | 3.2° | 0.0° |
| N1 | C4 | N2 | N3 | 176.3° | 180.0° |
| N1 | C4 | N3 | C5 | 6.5° | 175.0° |
| N1 | C4 | N3 | H1 | 173.5° | 5.1° |
| C1 | C2 | C3 | H24 | 180.0° | 179.9° |
| C1 | C2 | C3 | N2 | 2.0° | 0.0° |
| C2 | C1 | N6 | C17 | 172.2° | 180.0° |
| C2 | C1 | N6 | N7 | 2.1° | 0.4° |
| C1 | C2 | C3 | H28 | 178.0° | 180.0° |
| N6 | C1 | C2 | C3 | 174.9° | 180.0° |
| C1 | N6 | C17 | N7 | 174.8° | 179.6° |
| C1 | N6 | C17 | C18 | 175.5° | 180.0° |
| C1 | N6 | N7 | C19 | 177.4° | 180.0° |
| C1 | N6 | C17 | H6 | 4.5° | 0.3° |
| N6 | C1 | C2 | H24 | 5.1° | 0.0° |
| C2 | C3 | N2 | H28 | 180.0° | 180.0° |
| C2 | C3 | N2 | C4 | 2.4° | 0.0° |
| C3 | N2 | C4 | N3 | 179.5° | 180.0° |
| N2 | C3 | C2 | H24 | 178.0° | 179.9° |
| N2 | C4 | N3 | C5 | 177.1° | 5.0° |
| N2 | C4 | N3 | H1 | 2.9° | 175.0° |
| C4 | N2 | C3 | H28 | 177.6° | 180.0° |
| C4 | N3 | C5 | H1 | 180.0° | 180.0° |
| C4 | N3 | C5 | C6 | 12.1° | 32.9° |
| C4 | N3 | C5 | C9 | 170.2° | 147.4° |
| N3 | C5 | C6 | C9 | 177.5° | 179.8° |
| N3 | C5 | C6 | C7 | 179.6° | 180.0° |
| N3 | C5 | C9 | N4 | 179.1° | 179.7° |
| N3 | C5 | C6 | H2 | 0.4° | 0.0° |
| N3 | C5 | C9 | H29 | 0.9° | 0.0° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.3° | 0.0° |
| C5 | C6 | C7 | C11 | 180.0° | 180.0° |
| C6 | C5 | C9 | N4 | 1.4° | 0.5° |
| C6 | C5 | N3 | H1 | 167.9° | 147.1° |
| C6 | C5 | C9 | H29 | 178.6° | 179.7° |
| C9 | C5 | C6 | C7 | 2.2° | 0.2° |
| C5 | C9 | N4 | C8 | 0.2° | 0.5° |
| C5 | C9 | N4 | H29 | 180.0° | 179.7° |
| C9 | C5 | N3 | H1 | 9.8° | 32.6° |
| C9 | C5 | C6 | H2 | 177.8° | 179.7° |
| C6 | C7 | C8 | C11 | 179.1° | 179.9° |
| C6 | C7 | C8 | N4 | 0.2° | 0.0° |
| C6 | C7 | C8 | N5 | 179.9° | 180.0° |
| C6 | C7 | C11 | C10 | 179.3° | 179.9° |
| C6 | C7 | C11 | C13 | 0.4° | 0.1° |
| C7 | C8 | N4 | N5 | 179.8° | 180.0° |
| C7 | C8 | N4 | C9 | 1.0° | 0.3° |
| C7 | C8 | N5 | C10 | 1.3° | 0.0° |
| C7 | C8 | N5 | C12 | 179.0° | 180.0° |
| C8 | C7 | C11 | C10 | 0.5° | 0.0° |
| C8 | C7 | C11 | C13 | 179.2° | 180.0° |
| C8 | C7 | C6 | H2 | 178.7° | 180.0° |
| C11 | C7 | C8 | N4 | 178.9° | 180.0° |
| C11 | C7 | C8 | N5 | 1.0° | 0.0° |
| C7 | C11 | C10 | N5 | 0.1° | 0.0° |
| C7 | C11 | C10 | C13 | 179.7° | 180.0° |
| C7 | C11 | C13 | C14 | 176.3° | 180.0° |
| C7 | C11 | C13 | O1 | 1.9° | 0.0° |
| C11 | C7 | C6 | H2 | 0.0° | 0.1° |
| C7 | C11 | C10 | H3 | 179.9° | 180.0° |
| N4 | C8 | N5 | C10 | 178.6° | 180.0° |
| N4 | C8 | N5 | C12 | 0.8° | 0.0° |
| C8 | N4 | C9 | H29 | 179.8° | 179.7° |
| N5 | C8 | N4 | C9 | 179.2° | 179.7° |
| C8 | N5 | C10 | C12 | 177.8° | 179.9° |
| C8 | N5 | C10 | C11 | 0.9° | 0.0° |
| C8 | N5 | C10 | H3 | 179.1° | 180.0° |
| C8 | N5 | C12 | H18 | 180.0° | 89.9° |
| C8 | N5 | C12 | H19 | 60.0° | 150.0° |
| C8 | N5 | C12 | H20 | 60.0° | 30.0° |
| N5 | C10 | C11 | H3 | 180.0° | 180.0° |
| N5 | C10 | C11 | C13 | 179.8° | 180.0° |
| C10 | N5 | C12 | H18 | 2.2° | 90.0° |
| C10 | N5 | C12 | H19 | 122.2° | 30.1° |
| C10 | N5 | C12 | H20 | 117.8° | 150.1° |
| C12 | N5 | C10 | C11 | 178.7° | 180.0° |
| C12 | N5 | C10 | H3 | 1.2° | 0.1° |
| N5 | C12 | H18 | H19 | 120.0° | 120.1° |
| N5 | C12 | H18 | H20 | 120.0° | 119.9° |
| N5 | C12 | H19 | H20 | 120.0° | 119.9° |
| C10 | C11 | C13 | C14 | 3.4° | 0.0° |
| C10 | C11 | C13 | O1 | 178.5° | 180.0° |
| C11 | C13 | C14 | O1 | 178.0° | 180.0° |
| C11 | C13 | C14 | C15 | 138.3° | 155.0° |
| C11 | C13 | C14 | C16 | 155.2° | 136.4° |
| C13 | C11 | C10 | H3 | 0.2° | 0.0° |
| C11 | C13 | C14 | H21 | 11.4° | 9.3° |
| C13 | C14 | C15 | C16 | 102.5° | 107.5° |
| C13 | C14 | C15 | H21 | 149.7° | 145.0° |
| C13 | C14 | C16 | H21 | 143.7° | 145.0° |
| C13 | C14 | C15 | H4 | 148.0° | 145.0° |
| C13 | C14 | C15 | H5 | 7.1° | 0.0° |
| C13 | C14 | C16 | H22 | 1.0° | 145.0° |
| C13 | C14 | C16 | H23 | 141.9° | 0.0° |
| O1 | C13 | C14 | C15 | 39.7° | 25.0° |
| O1 | C13 | C14 | C16 | 26.7° | 43.6° |
| O1 | C13 | C14 | H21 | 170.5° | 170.7° |
| C15 | C14 | C16 | H21 | 107.7° | 107.5° |
| C14 | C15 | C16 | H4 | 109.5° | 107.5° |
| C14 | C15 | C16 | H5 | 109.5° | 107.5° |
| C14 | C15 | H4 | H5 | 144.6° | 145.7° |
| C15 | C14 | C16 | H22 | 109.5° | 107.5° |
| C15 | C14 | C16 | H23 | 109.5° | 107.5° |
| C14 | C16 | H22 | H23 | 144.6° | 145.6° |
| C16 | C15 | H4 | H5 | 144.7° | 145.7° |
| C15 | C16 | H22 | H23 | 144.6° | 145.7° |
| N6 | C17 | C18 | H6 | 180.0° | 179.7° |
| N6 | C17 | C18 | C19 | 1.0° | 0.2° |
| N6 | C17 | C18 | C21 | 178.9° | 179.7° |
| C17 | N6 | N7 | C19 | 2.2° | 0.4° |
| N7 | N6 | C17 | C18 | 0.7° | 0.4° |
| N6 | N7 | C19 | C18 | 2.8° | 0.2° |
| N6 | N7 | C19 | C20 | 178.3° | 179.8° |
| N7 | N6 | C17 | H6 | 179.3° | 179.9° |
| C17 | C18 | C19 | C21 | 179.9° | 179.9° |
| C17 | C18 | C19 | N7 | 2.4° | 0.0° |
| C17 | C18 | C19 | C20 | 178.8° | 180.0° |
| C17 | C18 | C21 | N8 | 90.9° | 103.4° |
| C17 | C18 | C21 | H10 | 149.1° | 136.6° |
| C17 | C18 | C21 | H11 | 29.2° | 16.6° |
| C18 | C19 | N7 | C20 | 178.9° | 180.0° |
| C19 | C18 | C21 | N8 | 89.0° | 76.5° |
| C19 | C18 | C17 | H6 | 179.0° | 180.0° |
| C18 | C19 | C20 | H7 | 178.6° | 94.9° |
| C18 | C19 | C20 | H8 | 61.3° | 145.1° |
| C18 | C19 | C20 | H9 | 58.7° | 25.1° |
| C19 | C18 | C21 | H10 | 31.1° | 43.5° |
| C19 | C18 | C21 | H11 | 151.0° | 163.5° |
| C21 | C18 | C19 | N7 | 177.4° | 179.9° |
| C21 | C18 | C19 | C20 | 1.3° | 0.1° |
| C18 | C21 | N8 | H10 | 120.1° | 120.0° |
| C18 | C21 | N8 | H11 | 120.1° | 120.0° |
| C18 | C21 | N8 | C22 | 170.5° | 164.5° |
| C18 | C21 | N8 | C25 | 65.4° | 80.1° |
| C21 | C18 | C17 | H6 | 1.1° | 0.0° |
| C18 | C21 | H10 | H11 | 119.8° | 119.9° |
| N7 | C19 | C20 | H7 | 0.0° | 85.2° |
| N7 | C19 | C20 | H8 | 120.0° | 34.8° |
| N7 | C19 | C20 | H9 | 120.0° | 154.8° |
| C19 | C20 | H7 | H8 | 120.0° | 120.0° |
| C19 | C20 | H7 | H9 | 120.0° | 120.0° |
| C19 | C20 | H8 | H9 | 120.0° | 120.0° |
| C21 | N8 | C22 | C25 | 130.5° | 119.6° |
| C21 | N8 | C22 | C23 | 148.2° | 159.1° |
| C21 | N8 | C25 | C24 | 154.5° | 159.0° |
| N8 | C21 | H10 | H11 | 119.7° | 120.0° |
| C21 | N8 | C22 | H12 | 92.2° | 40.3° |
| C21 | N8 | C22 | H13 | 28.6° | 82.2° |
| C21 | N8 | C25 | H26 | 35.6° | 82.2° |
| C21 | N8 | C25 | H27 | 86.7° | 40.2° |
| N8 | C22 | C23 | H12 | 119.6° | 118.8° |
| N8 | C22 | C23 | H13 | 119.6° | 118.9° |
| N8 | C22 | C23 | C24 | 2.7° | 23.9° |
| N8 | C22 | C23 | O3 | 113.6° | 142.8° |
| C22 | N8 | C25 | C24 | 29.5° | 39.5° |
| C22 | N8 | C21 | H10 | 50.5° | 44.5° |
| C22 | N8 | C21 | H11 | 69.4° | 75.5° |
| N8 | C22 | H12 | H13 | 121.2° | 122.5° |
| N8 | C22 | C23 | H25 | 123.7° | 95.0° |
| C22 | N8 | C25 | H26 | 89.4° | 158.3° |
| C22 | N8 | C25 | H27 | 148.3° | 79.4° |
| C25 | N8 | C22 | C23 | 17.6° | 39.5° |
| N8 | C25 | C24 | C23 | 31.4° | 23.8° |
| N8 | C25 | C24 | H26 | 118.8° | 118.8° |
| N8 | C25 | C24 | H27 | 118.8° | 118.9° |
| N8 | C25 | C24 | O2 | 158.9° | 142.7° |
| C25 | N8 | C21 | H10 | 174.5° | 159.9° |
| C25 | N8 | C21 | H11 | 54.7° | 39.9° |
| C25 | N8 | C22 | H12 | 137.2° | 79.3° |
| C25 | N8 | C22 | H13 | 102.0° | 158.2° |
| N8 | C25 | C24 | H14 | 83.6° | 95.1° |
| N8 | C25 | H26 | H27 | 123.3° | 122.4° |
| C22 | C23 | C24 | O3 | 118.1° | 118.9° |
| C22 | C23 | C24 | H25 | 120.3° | 118.9° |
| C22 | C23 | O3 | H25 | 122.3° | 122.2° |
| C22 | C23 | C24 | C25 | 21.1° | 0.0° |
| C22 | C23 | C24 | O2 | 146.5° | 118.9° |
| C22 | C23 | O3 | C26 | 71.5° | 91.5° |
| C23 | C22 | H12 | H13 | 121.3° | 122.3° |
| C22 | C23 | C24 | H14 | 93.1° | 118.9° |
| C24 | C23 | O3 | H25 | 121.9° | 122.2° |
| C23 | C24 | C25 | O2 | 127.6° | 118.9° |
| C23 | C24 | C25 | H14 | 115.0° | 119.0° |
| C23 | C24 | O2 | H14 | 120.5° | 122.2° |
| C24 | C23 | O3 | C26 | 172.7° | 152.9° |
| C24 | C23 | C22 | H12 | 116.8° | 95.0° |
| C24 | C23 | C22 | H13 | 122.3° | 142.7° |
| C23 | C24 | C25 | H26 | 87.5° | 142.6° |
| C23 | C24 | C25 | H27 | 150.2° | 95.1° |
| C23 | C24 | O2 | H31 | 180.0° | 177.1° |
| O3 | C23 | C24 | C25 | 97.0° | 118.9° |
| O3 | C23 | C24 | O2 | 28.5° | 0.0° |
| O3 | C23 | C22 | H12 | 126.8° | 23.9° |
| O3 | C23 | C22 | H13 | 5.9° | 98.4° |
| O3 | C23 | C24 | H14 | 148.8° | 122.2° |
| C23 | O3 | C26 | H15 | 180.0° | 180.0° |
| C23 | O3 | C26 | H16 | 60.0° | 60.0° |
| C23 | O3 | C26 | H17 | 60.0° | 60.0° |
| C25 | C24 | O2 | H14 | 116.8° | 122.1° |
| C25 | C24 | C23 | H25 | 141.4° | 118.9° |
| C24 | C25 | H26 | H27 | 123.3° | 122.3° |
| C25 | C24 | O2 | H31 | 57.3° | 61.4° |
| O2 | C24 | C23 | H25 | 93.2° | 122.2° |
| O2 | C24 | C25 | H26 | 40.1° | 98.5° |
| O2 | C24 | C25 | H27 | 82.2° | 23.8° |
| O3 | C26 | H15 | H16 | 120.0° | 120.0° |
| O3 | C26 | H15 | H17 | 120.0° | 120.0° |
| O3 | C26 | H16 | H17 | 120.0° | 120.0° |
| C26 | O3 | C23 | H25 | 50.8° | 30.7° |
| H4 | C15 | C14 | H21 | 1.8° | 0.0° |
| H4 | C15 | C16 | H22 | 141.0° | 0.0° |
| H4 | C15 | C16 | H23 | 0.0° | 145.1° |
| H5 | C15 | C14 | H21 | 142.7° | 145.0° |
| H5 | C15 | C16 | H22 | 0.0° | 145.0° |
| H5 | C15 | C16 | H23 | 140.9° | 0.0° |
| H7 | C20 | H8 | H9 | 120.0° | 120.0° |
| H12 | C22 | C23 | H25 | 4.2° | 146.2° |
| H13 | C22 | C23 | H25 | 116.7° | 23.9° |
| H14 | C24 | C23 | H25 | 27.2° | 0.0° |
| H14 | C24 | C25 | H26 | 157.5° | 23.7° |
| H14 | C24 | C25 | H27 | 35.2° | 146.0° |
| H14 | C24 | O2 | H31 | 59.5° | 60.7° |
| H15 | C26 | H16 | H17 | 120.0° | 120.0° |
| H18 | C12 | H19 | H20 | 120.0° | 120.0° |
| H21 | C14 | C16 | H22 | 142.8° | 0.0° |
| H21 | C14 | C16 | H23 | 1.8° | 145.0° |
| H24 | C2 | C3 | H28 | 2.0° | 0.1° |
