A1HZ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C11 | sing | 1.36Å | 1.36Å | |
| C14 | O3 | sing | 1.43Å | 1.43Å | |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | C13 | sing | 1.36Å | 1.38Å | |
| C13 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | O4 | sing | 1.36Å | 1.37Å | |
| C8 | C7 | sing | 1.47Å | 1.48Å | |
| O4 | C16 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.52Å | 1.50Å | |
| C6 | C5 | sing | 1.54Å | 1.52Å | |
| C7 | N2 | doub | 1.29Å | 1.28Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | N1 | sing | 1.34Å | 1.38Å | |
| C1 | C5 | sing | 1.50Å | 1.55Å | |
| N2 | O5 | sing | 1.42Å | 1.44Å | |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| C5 | C4 | sing | 1.52Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.49Å | |
| O6 | C2 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.08Å | 1.08Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | O2 | C11 | 117.9° | 117.0° |
| O2 | C12 | H16 | 109.5° | 109.4° |
| O2 | C12 | H17 | 109.5° | 109.4° |
| O2 | C12 | H18 | 109.5° | 109.5° |
| O2 | C11 | C10 | 124.6° | 119.9° |
| O2 | C11 | C13 | 115.4° | 119.9° |
| C14 | O3 | C13 | 114.3° | 117.0° |
| O3 | C14 | H13 | 109.5° | 109.5° |
| O3 | C14 | H14 | 109.5° | 109.4° |
| O3 | C14 | H15 | 109.5° | 109.5° |
| C10 | C11 | C13 | 120.0° | 120.2° |
| C11 | C10 | C9 | 120.0° | 120.3° |
| C11 | C10 | H19 | 120.0° | 119.8° |
| C11 | C13 | O3 | 121.6° | 120.1° |
| C11 | C13 | C15 | 120.0° | 120.0° |
| C10 | C9 | C8 | 121.2° | 120.1° |
| C9 | C10 | H19 | 120.0° | 119.9° |
| C10 | C9 | H20 | 119.4° | 120.0° |
| O3 | C13 | C15 | 118.4° | 120.0° |
| C13 | C15 | C8 | 120.1° | 119.7° |
| C13 | C15 | O4 | 118.8° | 120.2° |
| C9 | C8 | C15 | 118.6° | 119.7° |
| C9 | C8 | C7 | 117.7° | 120.1° |
| C8 | C9 | H20 | 119.4° | 120.0° |
| C8 | C15 | O4 | 121.0° | 120.1° |
| C15 | C8 | C7 | 123.4° | 120.1° |
| C15 | O4 | C16 | 116.7° | 117.0° |
| C8 | C7 | C6 | 121.3° | 125.9° |
| C8 | C7 | N2 | 125.6° | 125.9° |
| O4 | C16 | H10 | 109.5° | 109.5° |
| O4 | C16 | H11 | 109.5° | 109.5° |
| O4 | C16 | H12 | 109.5° | 109.4° |
| C7 | C6 | C5 | 104.4° | 102.4° |
| C6 | C7 | N2 | 113.1° | 108.3° |
| C7 | C6 | H3 | 110.7° | 110.8° |
| C7 | C6 | H4 | 110.7° | 110.9° |
| C6 | C5 | C1 | 106.8° | 110.7° |
| C6 | C5 | C4 | 105.0° | 110.5° |
| C6 | C5 | O5 | 102.0° | 102.6° |
| C5 | C6 | H3 | 110.7° | 110.8° |
| C5 | C6 | H4 | 110.7° | 110.9° |
| C7 | N2 | O5 | 108.5° | 112.8° |
| O1 | C1 | N1 | 119.5° | 119.5° |
| O1 | C1 | C5 | 120.5° | 119.5° |
| N1 | C1 | C5 | 119.8° | 121.0° |
| C1 | N1 | C2 | 126.8° | 122.4° |
| C1 | N1 | H7 | 116.6° | 118.8° |
| C1 | C5 | C4 | 114.6° | 110.8° |
| C1 | C5 | O5 | 115.8° | 111.1° |
| N2 | O5 | C5 | 110.3° | 107.4° |
| N1 | C2 | O6 | 121.4° | 119.2° |
| N1 | C2 | C3 | 116.4° | 121.7° |
| C2 | N1 | H7 | 116.6° | 118.8° |
| C4 | C5 | O5 | 111.1° | 110.9° |
| C5 | C4 | C3 | 117.0° | 108.7° |
| C5 | C4 | H5 | 107.6° | 109.6° |
| C5 | C4 | H6 | 107.6° | 109.6° |
| O6 | C2 | C3 | 122.0° | 119.2° |
| C2 | C3 | C4 | 116.3° | 109.3° |
| C2 | C3 | H1 | 107.7° | 109.5° |
| C2 | C3 | H2 | 107.7° | 109.5° |
| C4 | C3 | H1 | 107.7° | 109.5° |
| C4 | C3 | H2 | 107.7° | 109.5° |
| C3 | C4 | H5 | 107.6° | 109.6° |
| C3 | C4 | H6 | 107.6° | 109.6° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 110.9° |
| H5 | C4 | H6 | 109.5° | 109.7° |
| H10 | C16 | H11 | 109.4° | 109.5° |
| H10 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.4° |
| H13 | C14 | H15 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.4° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H16 | C12 | H18 | 109.4° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | O2 | C11 | C10 | 70.9° | 0.0° |
| C12 | O2 | C11 | C13 | 109.9° | 180.0° |
| O2 | C12 | H16 | H17 | 120.0° | 119.9° |
| O2 | C12 | H16 | H18 | 120.0° | 120.0° |
| O2 | C12 | H17 | H18 | 120.0° | 120.0° |
| O2 | C11 | C10 | C13 | 179.2° | 180.0° |
| O2 | C11 | C10 | C9 | 179.0° | 179.7° |
| O2 | C11 | C13 | O3 | 1.1° | 0.0° |
| O2 | C11 | C13 | C15 | 180.0° | 180.0° |
| C11 | O2 | C12 | H16 | 180.0° | 60.0° |
| C11 | O2 | C12 | H17 | 60.0° | 60.0° |
| C11 | O2 | C12 | H18 | 60.0° | 180.0° |
| O2 | C11 | C10 | H19 | 1.0° | 0.0° |
| C14 | O3 | C13 | C11 | 71.5° | 93.1° |
| C14 | O3 | C13 | C15 | 107.5° | 86.9° |
| O3 | C14 | H13 | H14 | 120.0° | 119.9° |
| O3 | C14 | H13 | H15 | 120.0° | 120.0° |
| O3 | C14 | H14 | H15 | 120.0° | 120.0° |
| C11 | C10 | C9 | H19 | 180.0° | 179.7° |
| C10 | C11 | C13 | O3 | 179.6° | 179.9° |
| C10 | C11 | C13 | C15 | 0.7° | 0.0° |
| C11 | C10 | C9 | C8 | 1.0° | 0.6° |
| C11 | C10 | C9 | H20 | 179.0° | 180.0° |
| C13 | C11 | C10 | C9 | 0.2° | 0.3° |
| C11 | C13 | O3 | C15 | 179.0° | 180.0° |
| C11 | C13 | C15 | C8 | 2.7° | 0.0° |
| C11 | C13 | C15 | O4 | 179.4° | 180.0° |
| C13 | C11 | C10 | H19 | 179.8° | 180.0° |
| C10 | C9 | C8 | H20 | 180.0° | 179.4° |
| C10 | C9 | C8 | C15 | 2.9° | 0.6° |
| C10 | C9 | C8 | C7 | 176.4° | 179.7° |
| O3 | C13 | C15 | C8 | 178.3° | 180.0° |
| O3 | C13 | C15 | O4 | 1.7° | 0.0° |
| C13 | O3 | C14 | H13 | 180.0° | 175.3° |
| C13 | O3 | C14 | H14 | 60.0° | 55.3° |
| C13 | O3 | C14 | H15 | 60.0° | 64.7° |
| C13 | C15 | C8 | C9 | 3.8° | 0.3° |
| C13 | C15 | C8 | O4 | 176.6° | 180.0° |
| C13 | C15 | C8 | C7 | 176.8° | 180.0° |
| C13 | C15 | O4 | C16 | 81.6° | 84.3° |
| C9 | C8 | C15 | C7 | 173.0° | 179.7° |
| C9 | C8 | C15 | O4 | 179.6° | 179.7° |
| C9 | C8 | C7 | C6 | 22.8° | 0.3° |
| C9 | C8 | C7 | N2 | 159.5° | 179.8° |
| C8 | C9 | C10 | H19 | 179.0° | 179.7° |
| C8 | C15 | O4 | C16 | 95.1° | 95.7° |
| C15 | C8 | C7 | C6 | 150.3° | 180.0° |
| C15 | C8 | C7 | N2 | 27.4° | 0.1° |
| C15 | C8 | C9 | H20 | 177.0° | 180.0° |
| O4 | C15 | C8 | C7 | 6.6° | 0.0° |
| C15 | O4 | C16 | H10 | 180.0° | 175.2° |
| C15 | O4 | C16 | H11 | 60.0° | 64.8° |
| C15 | O4 | C16 | H12 | 60.0° | 55.2° |
| C8 | C7 | C6 | N2 | 178.0° | 179.9° |
| C8 | C7 | C6 | C5 | 179.7° | 165.3° |
| C8 | C7 | N2 | O5 | 172.0° | 179.7° |
| C8 | C7 | C6 | H3 | 60.6° | 47.1° |
| C8 | C7 | C6 | H4 | 61.1° | 76.4° |
| C7 | C8 | C9 | H20 | 3.6° | 0.3° |
| O4 | C16 | H10 | H11 | 120.0° | 120.0° |
| O4 | C16 | H10 | H12 | 120.0° | 119.9° |
| O4 | C16 | H11 | H12 | 120.0° | 120.0° |
| C7 | C6 | C5 | H3 | 119.2° | 118.2° |
| C7 | C6 | C5 | H4 | 119.2° | 118.3° |
| C7 | C6 | C5 | C1 | 115.9° | 95.2° |
| C6 | C7 | N2 | O5 | 10.1° | 0.2° |
| C7 | C6 | C5 | C4 | 122.1° | 141.8° |
| C7 | C6 | C5 | O5 | 6.1° | 23.5° |
| C7 | C6 | H3 | H4 | 122.4° | 123.5° |
| C5 | C6 | C7 | N2 | 2.3° | 14.8° |
| C6 | C5 | C1 | O1 | 66.1° | 29.7° |
| C6 | C5 | C1 | N1 | 110.1° | 150.4° |
| C6 | C5 | C1 | C4 | 115.8° | 122.9° |
| C6 | C5 | C1 | O5 | 112.8° | 113.3° |
| C6 | C5 | O5 | N2 | 12.1° | 24.5° |
| C6 | C5 | C4 | O5 | 109.5° | 113.1° |
| C6 | C5 | C4 | C3 | 130.6° | 176.7° |
| C5 | C6 | H3 | H4 | 122.4° | 123.6° |
| C6 | C5 | C4 | H5 | 108.3° | 57.0° |
| C6 | C5 | C4 | H6 | 9.5° | 63.6° |
| C7 | N2 | O5 | C5 | 14.4° | 16.7° |
| N2 | C7 | C6 | H3 | 121.5° | 133.0° |
| N2 | C7 | C6 | H4 | 116.9° | 103.5° |
| O1 | C1 | N1 | C5 | 176.2° | 179.9° |
| O1 | C1 | N1 | C2 | 177.6° | 179.8° |
| O1 | C1 | C5 | C4 | 178.1° | 152.5° |
| O1 | C1 | C5 | O5 | 46.7° | 83.7° |
| O1 | C1 | N1 | H7 | 2.4° | 0.2° |
| C1 | N1 | C2 | H7 | 180.0° | 180.0° |
| N1 | C1 | C5 | C4 | 5.7° | 27.6° |
| N1 | C1 | C5 | O5 | 137.1° | 96.2° |
| C1 | N1 | C2 | O6 | 169.7° | 178.4° |
| C1 | N1 | C2 | C3 | 13.8° | 1.6° |
| C1 | C5 | O5 | N2 | 103.5° | 93.8° |
| C5 | C1 | N1 | C2 | 6.2° | 0.2° |
| C1 | C5 | C4 | O5 | 133.6° | 123.9° |
| C1 | C5 | C4 | C3 | 13.7° | 53.7° |
| C1 | C5 | C6 | H3 | 124.9° | 23.0° |
| C1 | C5 | C6 | H4 | 3.3° | 146.6° |
| C1 | C5 | C4 | H5 | 134.8° | 66.0° |
| C1 | C5 | C4 | H6 | 107.3° | 173.5° |
| C5 | C1 | N1 | H7 | 173.8° | 179.8° |
| N2 | O5 | C5 | C4 | 123.5° | 142.5° |
| N1 | C2 | O6 | C3 | 176.3° | 180.0° |
| N1 | C2 | C3 | C4 | 33.1° | 29.6° |
| N1 | C2 | C3 | H1 | 154.1° | 149.6° |
| N1 | C2 | C3 | H2 | 87.9° | 90.3° |
| C5 | C4 | C3 | C2 | 33.1° | 54.2° |
| C5 | C4 | C3 | H5 | 121.1° | 119.7° |
| C5 | C4 | C3 | H6 | 121.1° | 119.8° |
| C5 | C4 | C3 | H1 | 154.1° | 174.2° |
| C5 | C4 | C3 | H2 | 87.9° | 65.8° |
| C4 | C5 | C6 | H3 | 2.9° | 100.0° |
| C4 | C5 | C6 | H4 | 118.7° | 23.5° |
| C5 | C4 | H5 | H6 | 116.6° | 120.5° |
| O5 | C5 | C4 | C3 | 119.8° | 70.2° |
| O5 | C5 | C6 | H3 | 113.1° | 141.6° |
| O5 | C5 | C6 | H4 | 125.3° | 94.8° |
| O5 | C5 | C4 | H5 | 1.3° | 170.1° |
| O5 | C5 | C4 | H6 | 119.1° | 49.6° |
| O6 | C2 | C3 | C4 | 150.4° | 150.4° |
| O6 | C2 | C3 | H1 | 29.4° | 30.4° |
| O6 | C2 | C3 | H2 | 88.6° | 89.7° |
| O6 | C2 | N1 | H7 | 10.3° | 1.6° |
| C2 | C3 | C4 | H1 | 121.0° | 120.0° |
| C2 | C3 | C4 | H2 | 121.0° | 120.0° |
| C2 | C3 | H1 | H2 | 116.9° | 120.1° |
| C2 | C3 | C4 | H5 | 154.1° | 65.6° |
| C2 | C3 | C4 | H6 | 88.0° | 174.0° |
| C3 | C2 | N1 | H7 | 166.2° | 178.4° |
| C4 | C3 | H1 | H2 | 116.9° | 120.0° |
| C3 | C4 | H5 | H6 | 116.6° | 120.4° |
| H1 | C3 | C4 | H5 | 84.9° | 54.4° |
| H1 | C3 | C4 | H6 | 33.0° | 66.0° |
| H2 | C3 | C4 | H5 | 33.1° | 174.5° |
| H2 | C3 | C4 | H6 | 151.0° | 54.0° |
| H10 | C16 | H11 | H12 | 120.0° | 120.0° |
| H13 | C14 | H14 | H15 | 120.0° | 120.1° |
| H16 | C12 | H17 | H18 | 120.0° | 120.0° |
| H19 | C10 | C9 | H20 | 1.0° | 0.3° |
