A1LZU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | P1 | doub | 1.48Å | 1.51Å | |
| O5 | P1 | sing | 1.61Å | 1.51Å | |
| P1 | O2 | sing | 1.61Å | 1.62Å | |
| P1 | O4 | sing | 1.61Å | 1.51Å | |
| O2 | C13 | sing | 1.43Å | 1.40Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C13 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | C5 | sing | 1.36Å | 1.38Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C6 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C4 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.08Å | 1.08Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| O4 | H20 | sing | 0.97Å | 0.95Å | |
| O5 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | P1 | O5 | 112.7° | 109.5° |
| O3 | P1 | O2 | 106.2° | 109.5° |
| O3 | P1 | O4 | 112.7° | 109.5° |
| O5 | P1 | O2 | 106.1° | 109.5° |
| O5 | P1 | O4 | 112.7° | 109.5° |
| P1 | O5 | H21 | 109.5° | 114.0° |
| O2 | P1 | O4 | 105.7° | 109.5° |
| P1 | O2 | C13 | 121.1° | 123.0° |
| P1 | O4 | H20 | 109.5° | 114.0° |
| O2 | C13 | O1 | 113.9° | 109.5° |
| O2 | C13 | H11 | 108.3° | 109.5° |
| O2 | C13 | H12 | 108.4° | 109.5° |
| C11 | C10 | C12 | 109.8° | 109.5° |
| C11 | C10 | C6 | 111.8° | 109.4° |
| C11 | C10 | H4 | 107.9° | 109.5° |
| C10 | C11 | H5 | 109.5° | 109.5° |
| C10 | C11 | H6 | 109.4° | 109.5° |
| C10 | C11 | H7 | 109.4° | 109.5° |
| C13 | O1 | C5 | 117.7° | 117.0° |
| O1 | C13 | H11 | 108.4° | 109.5° |
| O1 | C13 | H12 | 108.4° | 109.5° |
| O1 | C5 | C6 | 119.1° | 120.0° |
| O1 | C5 | C4 | 117.9° | 120.0° |
| C12 | C10 | C6 | 111.2° | 109.5° |
| C12 | C10 | H4 | 108.0° | 109.5° |
| C10 | C12 | H8 | 109.5° | 109.5° |
| C10 | C12 | H9 | 109.5° | 109.5° |
| C10 | C12 | H10 | 109.5° | 109.5° |
| C10 | C6 | C5 | 122.6° | 120.1° |
| C10 | C6 | C7 | 120.5° | 120.0° |
| C6 | C10 | H4 | 108.1° | 109.4° |
| C1 | C2 | C4 | 111.4° | 109.4° |
| C1 | C2 | C3 | 110.2° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H13 | 107.7° | 109.5° |
| C6 | C5 | C4 | 123.0° | 119.9° |
| C5 | C6 | C7 | 116.9° | 119.9° |
| C5 | C4 | C2 | 122.3° | 120.0° |
| C5 | C4 | C9 | 117.1° | 119.9° |
| C6 | C7 | C8 | 121.7° | 120.0° |
| C6 | C7 | H17 | 119.2° | 120.0° |
| C4 | C2 | C3 | 111.9° | 109.5° |
| C2 | C4 | C9 | 120.7° | 120.1° |
| C4 | C2 | H13 | 107.8° | 109.5° |
| C3 | C2 | H13 | 107.7° | 109.5° |
| C2 | C3 | H14 | 109.5° | 109.4° |
| C2 | C3 | H15 | 109.5° | 109.5° |
| C2 | C3 | H16 | 109.5° | 109.5° |
| C4 | C9 | C8 | 121.5° | 120.1° |
| C4 | C9 | H19 | 119.2° | 119.9° |
| C7 | C8 | C9 | 119.7° | 120.2° |
| C8 | C7 | H17 | 119.1° | 120.0° |
| C7 | C8 | H18 | 120.1° | 119.9° |
| C9 | C8 | H18 | 120.1° | 119.9° |
| C8 | C9 | H19 | 119.3° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.4° | 109.4° |
| H8 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.4° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H14 | C3 | H15 | 109.5° | 109.4° |
| H14 | C3 | H16 | 109.5° | 109.5° |
| H15 | C3 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | P1 | O5 | O2 | 115.8° | 120.0° |
| O3 | P1 | O5 | O4 | 129.0° | 120.0° |
| O3 | P1 | O2 | O4 | 119.9° | 120.0° |
| O3 | P1 | O2 | C13 | 173.0° | 55.0° |
| O3 | P1 | O4 | H20 | 0.0° | 180.0° |
| O3 | P1 | O5 | H21 | 0.0° | 60.0° |
| O5 | P1 | O2 | O4 | 119.9° | 120.0° |
| O5 | P1 | O2 | C13 | 66.9° | 175.0° |
| O5 | P1 | O4 | H20 | 129.0° | 60.0° |
| P1 | O2 | C13 | O1 | 172.2° | 180.0° |
| P1 | O2 | C13 | H11 | 67.2° | 60.0° |
| P1 | O2 | C13 | H12 | 51.5° | 60.0° |
| O2 | P1 | O4 | H20 | 115.6° | 60.0° |
| O2 | P1 | O5 | H21 | 115.8° | 180.0° |
| O4 | P1 | O2 | C13 | 53.1° | 65.0° |
| O4 | P1 | O5 | H21 | 128.9° | 60.0° |
| O2 | C13 | O1 | H11 | 120.6° | 120.0° |
| O2 | C13 | O1 | H12 | 120.7° | 120.0° |
| O2 | C13 | O1 | C5 | 160.4° | 75.0° |
| O2 | C13 | H11 | H12 | 118.0° | 120.0° |
| C11 | C10 | C12 | C6 | 124.2° | 120.0° |
| C11 | C10 | C12 | H4 | 117.4° | 120.0° |
| C11 | C10 | C6 | H4 | 118.6° | 120.0° |
| C11 | C10 | C6 | C5 | 77.8° | 120.0° |
| C11 | C10 | C6 | C7 | 102.9° | 60.1° |
| C10 | C11 | H5 | H6 | 120.0° | 120.0° |
| C10 | C11 | H5 | H7 | 120.0° | 120.0° |
| C10 | C11 | H6 | H7 | 120.0° | 120.0° |
| C11 | C10 | C12 | H8 | 180.0° | 180.0° |
| C11 | C10 | C12 | H9 | 60.0° | 60.0° |
| C11 | C10 | C12 | H10 | 60.0° | 60.0° |
| C13 | O1 | C5 | C6 | 90.5° | 90.0° |
| C13 | O1 | C5 | C4 | 90.1° | 90.0° |
| O1 | C13 | H11 | H12 | 118.0° | 120.0° |
| O1 | C5 | C6 | C10 | 0.6° | 0.0° |
| O1 | C5 | C6 | C4 | 179.5° | 180.0° |
| O1 | C5 | C6 | C7 | 179.9° | 180.0° |
| O1 | C5 | C4 | C2 | 0.1° | 0.0° |
| O1 | C5 | C4 | C9 | 179.8° | 179.7° |
| C5 | O1 | C13 | H11 | 79.0° | 165.0° |
| C5 | O1 | C13 | H12 | 39.8° | 45.0° |
| C12 | C10 | C6 | H4 | 118.3° | 120.0° |
| C12 | C10 | C6 | C5 | 159.1° | 120.0° |
| C12 | C10 | C6 | C7 | 20.2° | 60.0° |
| C12 | C10 | C11 | H5 | 180.0° | 60.0° |
| C12 | C10 | C11 | H6 | 60.0° | 180.0° |
| C12 | C10 | C11 | H7 | 60.0° | 59.9° |
| C10 | C12 | H8 | H9 | 120.0° | 120.0° |
| C10 | C12 | H8 | H10 | 120.0° | 120.1° |
| C10 | C12 | H9 | H10 | 120.0° | 120.0° |
| C10 | C6 | C5 | C7 | 179.3° | 179.9° |
| C10 | C6 | C5 | C4 | 180.0° | 179.9° |
| C10 | C6 | C7 | C8 | 179.9° | 180.0° |
| C6 | C10 | C11 | H5 | 56.2° | 180.0° |
| C6 | C10 | C11 | H6 | 176.1° | 60.0° |
| C6 | C10 | C11 | H7 | 63.8° | 60.1° |
| C6 | C10 | C12 | H8 | 55.8° | 60.0° |
| C6 | C10 | C12 | H9 | 64.2° | 180.0° |
| C6 | C10 | C12 | H10 | 175.8° | 60.0° |
| C10 | C6 | C7 | H17 | 0.0° | 0.1° |
| C1 | C2 | C4 | C5 | 92.4° | 120.3° |
| C1 | C2 | C4 | C3 | 123.9° | 120.0° |
| C1 | C2 | C4 | H13 | 117.9° | 120.0° |
| C1 | C2 | C3 | H13 | 117.2° | 120.0° |
| C1 | C2 | C4 | C9 | 87.2° | 60.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H14 | 180.0° | 60.0° |
| C1 | C2 | C3 | H15 | 60.0° | 179.9° |
| C1 | C2 | C3 | H16 | 60.0° | 60.0° |
| C6 | C5 | C4 | C2 | 179.3° | 180.0° |
| C6 | C5 | C4 | C9 | 0.4° | 0.3° |
| C5 | C6 | C7 | C8 | 0.6° | 0.0° |
| C5 | C6 | C10 | H4 | 40.8° | 0.0° |
| C5 | C6 | C7 | H17 | 179.4° | 180.0° |
| C4 | C5 | C6 | C7 | 0.7° | 0.0° |
| C5 | C4 | C2 | C9 | 179.7° | 179.7° |
| C5 | C4 | C2 | C3 | 143.7° | 119.7° |
| C5 | C4 | C9 | C8 | 0.0° | 0.6° |
| C5 | C4 | C2 | H13 | 25.5° | 0.3° |
| C5 | C4 | C9 | H19 | 180.0° | 179.7° |
| C6 | C7 | C8 | H17 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.3° |
| C7 | C6 | C10 | H4 | 138.5° | 180.0° |
| C6 | C7 | C8 | H18 | 179.8° | 180.0° |
| C4 | C2 | C3 | H13 | 118.3° | 120.0° |
| C2 | C4 | C9 | C8 | 179.7° | 179.7° |
| C4 | C2 | C1 | H1 | 180.0° | 60.0° |
| C4 | C2 | C1 | H2 | 60.0° | 180.0° |
| C4 | C2 | C1 | H3 | 60.0° | 60.1° |
| C4 | C2 | C3 | H14 | 55.5° | 60.0° |
| C4 | C2 | C3 | H15 | 175.5° | 60.0° |
| C4 | C2 | C3 | H16 | 64.5° | 180.0° |
| C2 | C4 | C9 | H19 | 0.3° | 0.0° |
| C3 | C2 | C4 | C9 | 36.6° | 60.0° |
| C3 | C2 | C1 | H1 | 55.2° | 60.0° |
| C3 | C2 | C1 | H2 | 175.2° | 60.0° |
| C3 | C2 | C1 | H3 | 64.8° | 180.0° |
| C2 | C3 | H14 | H15 | 120.0° | 120.0° |
| C2 | C3 | H14 | H16 | 120.0° | 120.0° |
| C2 | C3 | H15 | H16 | 120.0° | 120.1° |
| C4 | C9 | C8 | C7 | 0.1° | 0.6° |
| C4 | C9 | C8 | H19 | 180.0° | 179.7° |
| C9 | C4 | C2 | H13 | 154.8° | 180.0° |
| C4 | C9 | C8 | H18 | 179.9° | 179.6° |
| C7 | C8 | C9 | H18 | 180.0° | 179.8° |
| C7 | C8 | C9 | H19 | 179.9° | 179.7° |
| C9 | C8 | C7 | H17 | 179.7° | 179.7° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H13 | 62.0° | NaN° |
| H2 | C1 | C2 | H13 | 58.0° | 60.0° |
| H3 | C1 | C2 | H13 | 178.0° | 59.9° |
| H4 | C10 | C11 | H5 | 62.5° | 60.1° |
| H4 | C10 | C11 | H6 | 57.4° | 60.0° |
| H4 | C10 | C11 | H7 | 177.5° | 180.0° |
| H4 | C10 | C12 | H8 | 62.6° | 59.9° |
| H4 | C10 | C12 | H9 | 177.4° | 60.0° |
| H4 | C10 | C12 | H10 | 57.4° | 180.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H8 | C12 | H9 | H10 | 120.0° | 120.0° |
| H13 | C2 | C3 | H14 | 62.8° | 180.0° |
| H13 | C2 | C3 | H15 | 57.2° | 60.0° |
| H13 | C2 | C3 | H16 | 177.2° | 60.0° |
| H14 | C3 | H15 | H16 | 120.0° | 120.0° |
| H17 | C7 | C8 | H18 | 0.3° | 0.1° |
| H18 | C8 | C9 | H19 | 0.1° | 0.1° |
