A1L0W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C14 | sing | 1.35Å | 1.36Å | |
| C15 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | C1 | sing | 1.51Å | 1.51Å | |
| N1 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C1 | C4 | sing | 1.40Å | 1.35Å | Aromatic |
| C5 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | N2 | doub | 1.31Å | 1.34Å | Aromatic |
| C4 | O1 | sing | 1.36Å | 1.36Å | |
| C4 | C3 | doub | 1.40Å | 1.36Å | Aromatic |
| N2 | C3 | sing | 1.33Å | 1.37Å | Aromatic |
| C3 | C6 | sing | 1.48Å | 1.50Å | |
| C6 | O2 | doub | 1.21Å | 1.23Å | |
| C6 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | C7 | sing | 1.46Å | 1.44Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| O4 | C8 | doub | 1.21Å | 1.25Å | |
| C8 | O3 | sing | 1.34Å | 1.25Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| O3 | H15 | sing | 0.97Å | 0.95Å | |
| O1 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C14 | C15 | 118.5° | 120.0° |
| F1 | C14 | C13 | 118.3° | 120.0° |
| C14 | C15 | C16 | 118.1° | 119.9° |
| C15 | C14 | C13 | 123.2° | 120.0° |
| C14 | C15 | H13 | 121.0° | 120.0° |
| C15 | C16 | C11 | 121.1° | 120.1° |
| C16 | C15 | H13 | 121.0° | 120.0° |
| C15 | C16 | H14 | 119.4° | 119.9° |
| C14 | C13 | C12 | 118.1° | 120.0° |
| C14 | C13 | H12 | 121.0° | 120.0° |
| C16 | C11 | C12 | 118.3° | 120.0° |
| C16 | C11 | C10 | 120.8° | 119.9° |
| C11 | C16 | H14 | 119.4° | 120.0° |
| C13 | C12 | C11 | 121.2° | 120.0° |
| C13 | C12 | H8 | 119.4° | 120.0° |
| C12 | C13 | H12 | 121.0° | 120.0° |
| C12 | C11 | C10 | 120.8° | 120.0° |
| C11 | C12 | H8 | 119.4° | 120.0° |
| C11 | C10 | C9 | 111.7° | 109.5° |
| C11 | C10 | H4 | 108.9° | 109.4° |
| C11 | C10 | H5 | 108.9° | 109.5° |
| C10 | C9 | C1 | 112.6° | 109.5° |
| C9 | C10 | H4 | 108.9° | 109.4° |
| C9 | C10 | H5 | 108.9° | 109.5° |
| C10 | C9 | H6 | 108.7° | 109.5° |
| C10 | C9 | H7 | 108.7° | 109.5° |
| C9 | C1 | N1 | 116.6° | 120.5° |
| C9 | C1 | C4 | 122.8° | 120.5° |
| C1 | C9 | H6 | 108.7° | 109.5° |
| C1 | C9 | H7 | 108.7° | 109.4° |
| C1 | N1 | C2 | 118.4° | 121.2° |
| N1 | C1 | C4 | 120.6° | 119.0° |
| N1 | C2 | C5 | 117.3° | 119.0° |
| N1 | C2 | N2 | 124.4° | 122.1° |
| C1 | C4 | O1 | 116.8° | 120.9° |
| C1 | C4 | C3 | 119.7° | 118.1° |
| C5 | C2 | N2 | 118.4° | 118.9° |
| C2 | C5 | H1 | 109.5° | 109.4° |
| C2 | C5 | H2 | 109.5° | 109.4° |
| C2 | C5 | H3 | 109.5° | 109.5° |
| C2 | N2 | C3 | 116.2° | 120.8° |
| O1 | C4 | C3 | 123.6° | 120.9° |
| C4 | O1 | H16 | 109.5° | 114.0° |
| C4 | C3 | N2 | 120.8° | 118.8° |
| C4 | C3 | C6 | 121.7° | 120.6° |
| N2 | C3 | C6 | 117.5° | 120.6° |
| C3 | C6 | O2 | 120.8° | 120.0° |
| C3 | C6 | N3 | 115.5° | 120.0° |
| O2 | C6 | N3 | 123.5° | 120.0° |
| C6 | N3 | C7 | 121.5° | 120.0° |
| C6 | N3 | H9 | 119.2° | 120.0° |
| N3 | C7 | C8 | 114.6° | 109.4° |
| C7 | N3 | H9 | 119.3° | 120.0° |
| N3 | C7 | H10 | 108.2° | 109.4° |
| N3 | C7 | H11 | 108.2° | 109.5° |
| C7 | C8 | O4 | 116.9° | 120.0° |
| C7 | C8 | O3 | 117.1° | 120.0° |
| C8 | C7 | H10 | 108.2° | 109.4° |
| C8 | C7 | H11 | 108.2° | 109.5° |
| O4 | C8 | O3 | 126.1° | 120.0° |
| C8 | O3 | H15 | 109.5° | 117.0° |
| H1 | C5 | H2 | 109.4° | 109.5° |
| H1 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C14 | C15 | C13 | 179.7° | 179.2° |
| F1 | C14 | C15 | C16 | 179.8° | 180.0° |
| F1 | C14 | C13 | C12 | 179.9° | 179.7° |
| F1 | C14 | C13 | H12 | 0.0° | 0.3° |
| F1 | C14 | C15 | H13 | 0.2° | 0.8° |
| C14 | C15 | C16 | H13 | 180.0° | 179.2° |
| C14 | C15 | C16 | C11 | 0.3° | 0.6° |
| C15 | C14 | C13 | C12 | 0.4° | 0.6° |
| C15 | C14 | C13 | H12 | 179.6° | 179.5° |
| C14 | C15 | C16 | H14 | 179.7° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.8° |
| C15 | C16 | C11 | H14 | 180.0° | 179.4° |
| C15 | C16 | C11 | C12 | 0.3° | 0.0° |
| C15 | C16 | C11 | C10 | 179.8° | 179.7° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C14 | C13 | C12 | H8 | 179.7° | 180.0° |
| C13 | C14 | C15 | H13 | 179.9° | 180.0° |
| C16 | C11 | C12 | C13 | 0.0° | 0.3° |
| C16 | C11 | C12 | C10 | 179.5° | 179.7° |
| C16 | C11 | C10 | C9 | 96.4° | 90.3° |
| C16 | C11 | C10 | H4 | 143.3° | 149.8° |
| C16 | C11 | C10 | H5 | 24.0° | 29.7° |
| C16 | C11 | C12 | H8 | 180.0° | 179.7° |
| C11 | C16 | C15 | H13 | 179.8° | 179.7° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 179.5° | 180.0° |
| C12 | C11 | C10 | C9 | 83.1° | 90.0° |
| C12 | C11 | C10 | H4 | 37.2° | 30.0° |
| C12 | C11 | C10 | H5 | 156.6° | 150.0° |
| C11 | C12 | C13 | H12 | 179.7° | 180.0° |
| C12 | C11 | C16 | H14 | 179.7° | 179.4° |
| C11 | C10 | C9 | H4 | 120.3° | 119.9° |
| C11 | C10 | C9 | H5 | 120.3° | 120.1° |
| C11 | C10 | C9 | C1 | 150.1° | 180.0° |
| C11 | C10 | H4 | H5 | 119.0° | 120.1° |
| C11 | C10 | C9 | H6 | 89.4° | 60.0° |
| C11 | C10 | C9 | H7 | 29.6° | 60.0° |
| C10 | C11 | C12 | H8 | 0.5° | 0.0° |
| C10 | C11 | C16 | H14 | 0.2° | 0.3° |
| C10 | C9 | C1 | H6 | 120.5° | 120.0° |
| C10 | C9 | C1 | H7 | 120.5° | 120.0° |
| C10 | C9 | C1 | N1 | 6.4° | 89.7° |
| C10 | C9 | C1 | C4 | 173.8° | 90.0° |
| C9 | C10 | H4 | H5 | 119.0° | 120.0° |
| C10 | C9 | H6 | H7 | 118.5° | 120.0° |
| C9 | C1 | N1 | C4 | 179.8° | 179.7° |
| C9 | C1 | N1 | C2 | 179.5° | 179.7° |
| C9 | C1 | C4 | O1 | 0.2° | 0.0° |
| C9 | C1 | C4 | C3 | 179.4° | 179.9° |
| C1 | C9 | C10 | H4 | 29.8° | 60.0° |
| C1 | C9 | C10 | H5 | 89.5° | 60.0° |
| C1 | C9 | H6 | H7 | 118.6° | 120.0° |
| C1 | N1 | C2 | C5 | 179.7° | 179.7° |
| C1 | N1 | C2 | N2 | 1.0° | 0.1° |
| N1 | C1 | C4 | O1 | 180.0° | 179.7° |
| N1 | C1 | C4 | C3 | 0.4° | 0.2° |
| N1 | C1 | C9 | H6 | 114.1° | 30.3° |
| N1 | C1 | C9 | H7 | 126.8° | 150.3° |
| C2 | N1 | C1 | C4 | 0.3° | 0.1° |
| N1 | C2 | C5 | N2 | 179.3° | 179.8° |
| N1 | C2 | N2 | C3 | 1.8° | 0.2° |
| N1 | C2 | C5 | H1 | 0.0° | 90.2° |
| N1 | C2 | C5 | H2 | 120.0° | 29.7° |
| N1 | C2 | C5 | H3 | 120.0° | 149.8° |
| C1 | C4 | O1 | C3 | 179.5° | 179.9° |
| C1 | C4 | C3 | N2 | 1.3° | 0.4° |
| C1 | C4 | C3 | C6 | 179.2° | 180.0° |
| C4 | C1 | C9 | H6 | 65.7° | 150.0° |
| C4 | C1 | C9 | H7 | 53.4° | 30.0° |
| C1 | C4 | O1 | H16 | 175.3° | 90.0° |
| C5 | C2 | N2 | C3 | 178.9° | 180.0° |
| C2 | C5 | H1 | H2 | 120.0° | 119.9° |
| C2 | C5 | H1 | H3 | 120.0° | 120.0° |
| C2 | C5 | H2 | H3 | 120.0° | 120.0° |
| C2 | N2 | C3 | C4 | 1.9° | 0.4° |
| C2 | N2 | C3 | C6 | 179.9° | 180.0° |
| N2 | C2 | C5 | H1 | 179.4° | 90.0° |
| N2 | C2 | C5 | H2 | 60.7° | 150.1° |
| N2 | C2 | C5 | H3 | 59.3° | 30.0° |
| O1 | C4 | C3 | N2 | 179.2° | 179.5° |
| O1 | C4 | C3 | C6 | 1.2° | 0.1° |
| C4 | C3 | N2 | C6 | 178.1° | 179.6° |
| C4 | C3 | C6 | O2 | 13.4° | 0.1° |
| C4 | C3 | C6 | N3 | 162.7° | 180.0° |
| C3 | C4 | O1 | H16 | 4.2° | 90.1° |
| N2 | C3 | C6 | O2 | 168.6° | 179.5° |
| N2 | C3 | C6 | N3 | 15.4° | 0.4° |
| C3 | C6 | O2 | N3 | 175.8° | 179.9° |
| C3 | C6 | N3 | C7 | 172.6° | 180.0° |
| C3 | C6 | N3 | H9 | 7.3° | 0.1° |
| O2 | C6 | N3 | C7 | 3.3° | 0.1° |
| O2 | C6 | N3 | H9 | 176.7° | 180.0° |
| C6 | N3 | C7 | H9 | 180.0° | 179.9° |
| C6 | N3 | C7 | C8 | 175.1° | 180.0° |
| C6 | N3 | C7 | H10 | 64.1° | 60.1° |
| C6 | N3 | C7 | H11 | 54.4° | 59.9° |
| N3 | C7 | C8 | H10 | 120.7° | 119.9° |
| N3 | C7 | C8 | H11 | 120.8° | 120.1° |
| N3 | C7 | C8 | O4 | 13.7° | 0.0° |
| N3 | C7 | C8 | O3 | 166.2° | 180.0° |
| N3 | C7 | H10 | H11 | 117.7° | 120.0° |
| C7 | C8 | O4 | O3 | 179.9° | 180.0° |
| C8 | C7 | N3 | H9 | 4.9° | 0.1° |
| C8 | C7 | H10 | H11 | 117.7° | 120.1° |
| C7 | C8 | O3 | H15 | 179.9° | 180.0° |
| O4 | C8 | C7 | H10 | 134.5° | 119.9° |
| O4 | C8 | C7 | H11 | 107.0° | 120.0° |
| O4 | C8 | O3 | H15 | 0.0° | 0.0° |
| O3 | C8 | C7 | H10 | 45.4° | 60.1° |
| O3 | C8 | C7 | H11 | 73.1° | 59.9° |
| H1 | C5 | H2 | H3 | 120.0° | 120.1° |
| H4 | C10 | C9 | H6 | 150.3° | 180.0° |
| H4 | C10 | C9 | H7 | 90.7° | 60.0° |
| H5 | C10 | C9 | H6 | 31.0° | 60.0° |
| H5 | C10 | C9 | H7 | 150.0° | 179.9° |
| H8 | C12 | C13 | H12 | 0.3° | 0.0° |
| H9 | N3 | C7 | H10 | 115.9° | 120.0° |
| H9 | N3 | C7 | H11 | 125.6° | 120.0° |
| H13 | C15 | C16 | H14 | 0.2° | 0.8° |
