A1BO8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.39Å | |
| O | C1 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| O1 | C3 | doub | 1.21Å | 1.21Å | |
| C3 | N | sing | 1.35Å | 1.35Å | |
| N | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| N1 | C8 | sing | 1.35Å | 1.33Å | |
| C8 | O2 | doub | 1.21Å | 1.24Å | |
| C9 | C7 | sing | 1.53Å | 1.53Å | |
| N | C9 | sing | 1.47Å | 1.47Å | |
| C2 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | O3 | sing | 1.43Å | 1.44Å | |
| O3 | C2 | sing | 1.43Å | 1.44Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 112.3° | 114.1° |
| O | C | H1 | 109.5° | 109.5° |
| O | C | H2 | 109.5° | 109.5° |
| O | C | H3 | 109.5° | 109.5° |
| O | C1 | C2 | 109.7° | 109.5° |
| O | C1 | H4 | 109.4° | 109.4° |
| O | C1 | H5 | 109.4° | 109.5° |
| C1 | C2 | C3 | 113.1° | 109.5° |
| C1 | C2 | C10 | 111.2° | 109.5° |
| C1 | C2 | O3 | 104.5° | 109.5° |
| C2 | C1 | H4 | 109.4° | 109.5° |
| C2 | C1 | H5 | 109.4° | 109.5° |
| C2 | C3 | O1 | 117.1° | 120.0° |
| C2 | C3 | N | 122.6° | 120.0° |
| C3 | C2 | C10 | 112.5° | 109.5° |
| C3 | C2 | O3 | 106.9° | 109.5° |
| O1 | C3 | N | 120.2° | 120.1° |
| C3 | N | C4 | 125.7° | 120.6° |
| C3 | N | C9 | 121.1° | 120.7° |
| N | C4 | C5 | 110.0° | 108.8° |
| C4 | N | C9 | 113.2° | 118.7° |
| N | C4 | H7 | 109.4° | 109.6° |
| N | C4 | H6 | 109.4° | 109.7° |
| C4 | C5 | C6 | 109.4° | 109.3° |
| C5 | C4 | H7 | 109.3° | 109.6° |
| C5 | C4 | H6 | 109.3° | 109.6° |
| C4 | C5 | H8 | 109.5° | 109.5° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| C5 | C6 | C7 | 110.2° | 109.6° |
| C6 | C5 | H8 | 109.5° | 109.4° |
| C6 | C5 | H9 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.3° | 109.4° |
| C5 | C6 | H11 | 109.3° | 109.5° |
| C6 | C7 | C8 | 111.6° | 109.5° |
| C6 | C7 | C9 | 109.4° | 109.3° |
| C7 | C6 | H10 | 109.3° | 109.4° |
| C7 | C6 | H11 | 109.3° | 109.4° |
| C6 | C7 | H | 107.4° | 109.5° |
| C7 | C8 | N1 | 115.9° | 120.0° |
| C7 | C8 | O2 | 120.8° | 120.0° |
| C8 | C7 | C9 | 112.8° | 109.5° |
| C8 | C7 | H | 107.8° | 109.5° |
| N1 | C8 | O2 | 123.2° | 120.0° |
| C8 | N1 | H13 | 120.0° | 120.0° |
| C8 | N1 | H12 | 120.0° | 119.9° |
| C7 | C9 | N | 109.5° | 108.8° |
| C9 | C7 | H | 107.6° | 109.5° |
| C7 | C9 | H14 | 109.5° | 109.6° |
| C7 | C9 | H15 | 109.5° | 109.6° |
| N | C9 | H14 | 109.5° | 109.6° |
| N | C9 | H15 | 109.4° | 109.7° |
| C2 | C10 | C11 | 112.0° | 109.2° |
| C10 | C2 | O3 | 108.1° | 109.4° |
| C2 | C10 | H16 | 108.8° | 109.5° |
| C2 | C10 | H17 | 108.8° | 109.6° |
| C10 | C11 | C12 | 112.0° | 109.0° |
| C11 | C10 | H16 | 108.9° | 109.5° |
| C11 | C10 | H17 | 108.8° | 109.5° |
| C10 | C11 | H18 | 108.8° | 109.5° |
| C10 | C11 | H19 | 108.8° | 109.5° |
| C11 | C12 | C13 | 113.2° | 109.2° |
| C11 | C12 | H20 | 108.5° | 109.5° |
| C11 | C12 | H21 | 108.5° | 109.6° |
| C12 | C11 | H18 | 108.8° | 109.5° |
| C12 | C11 | H19 | 108.8° | 109.6° |
| C12 | C13 | O3 | 115.3° | 109.4° |
| C12 | C13 | H22 | 108.0° | 109.5° |
| C12 | C13 | H23 | 108.0° | 109.5° |
| C13 | C12 | H20 | 108.5° | 109.5° |
| C13 | C12 | H21 | 108.5° | 109.5° |
| C13 | O3 | C2 | 121.0° | 114.1° |
| O3 | C13 | H22 | 108.0° | 109.4° |
| O3 | C13 | H23 | 108.0° | 109.5° |
| H13 | N1 | H12 | 120.0° | 120.0° |
| H7 | C4 | H6 | 109.4° | 109.6° |
| H8 | C5 | H9 | 109.5° | 109.6° |
| H10 | C6 | H11 | 109.4° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.4° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.4° | 109.6° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H1 | C | H2 | 109.4° | 109.4° |
| H1 | C | H3 | 109.5° | 109.4° |
| H2 | C | H3 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 150.1° | 180.0° |
| C | O | C1 | H4 | 30.1° | 60.0° |
| C | O | C1 | H5 | 89.9° | 60.0° |
| O | C | H1 | H2 | 120.0° | 120.0° |
| O | C | H1 | H3 | 120.0° | 120.0° |
| O | C | H2 | H3 | 120.0° | 120.0° |
| O | C1 | C2 | H4 | 120.0° | 120.0° |
| O | C1 | C2 | H5 | 120.1° | 120.0° |
| O | C1 | C2 | C3 | 55.6° | 55.0° |
| O | C1 | C2 | C10 | 176.8° | 175.0° |
| O | C1 | C2 | O3 | 60.4° | 65.0° |
| O | C1 | H4 | H5 | 119.9° | 120.0° |
| C1 | O | C | H1 | 180.0° | 60.0° |
| C1 | O | C | H2 | 60.0° | 60.0° |
| C1 | O | C | H3 | 60.0° | 180.0° |
| C1 | C2 | C3 | C10 | 127.0° | 120.0° |
| C1 | C2 | C3 | O3 | 114.5° | 120.0° |
| C1 | C2 | C3 | O1 | 102.5° | 95.8° |
| C1 | C2 | C3 | N | 80.2° | 84.3° |
| C1 | C2 | C10 | O3 | 114.2° | 120.0° |
| C1 | C2 | C10 | C11 | 175.1° | 177.6° |
| C1 | C2 | O3 | C13 | 138.2° | 178.9° |
| C1 | C2 | C10 | H16 | 54.7° | 57.7° |
| C1 | C2 | C10 | H17 | 64.6° | 62.4° |
| C2 | C1 | H4 | H5 | 119.9° | 120.0° |
| C2 | C3 | O1 | N | 177.4° | 180.0° |
| C2 | C3 | N | C4 | 2.0° | 174.2° |
| C2 | C3 | N | C9 | 175.2° | 5.8° |
| C3 | C2 | C10 | O3 | 117.8° | 120.0° |
| C3 | C2 | C10 | C11 | 56.9° | 62.4° |
| C3 | C2 | O3 | C13 | 101.7° | 58.9° |
| C3 | C2 | C10 | H16 | 177.3° | 177.7° |
| C3 | C2 | C10 | H17 | 63.4° | 57.6° |
| C3 | C2 | C1 | H4 | 175.6° | 65.0° |
| C3 | C2 | C1 | H5 | 64.5° | 175.0° |
| O1 | C3 | N | C4 | 175.3° | 5.7° |
| O1 | C3 | N | C9 | 7.6° | 174.3° |
| O1 | C3 | C2 | C10 | 130.5° | 24.2° |
| O1 | C3 | C2 | O3 | 12.0° | 144.2° |
| C3 | N | C4 | C9 | 177.3° | 180.0° |
| C3 | N | C4 | C5 | 117.2° | 126.3° |
| C3 | N | C9 | C7 | 117.8° | 126.3° |
| N | C3 | C2 | C10 | 46.8° | 155.7° |
| N | C3 | C2 | O3 | 165.4° | 35.7° |
| C3 | N | C4 | H7 | 122.7° | 6.5° |
| C3 | N | C4 | H6 | 2.9° | 113.8° |
| C3 | N | C9 | H14 | 122.1° | 113.9° |
| C3 | N | C9 | H15 | 2.2° | 6.5° |
| N | C4 | C5 | H7 | 120.1° | 119.8° |
| N | C4 | C5 | H6 | 120.1° | 119.9° |
| N | C4 | C5 | C6 | 57.5° | 54.6° |
| C4 | N | C9 | C7 | 59.6° | 53.6° |
| N | C4 | H7 | H6 | 119.8° | 120.4° |
| N | C4 | C5 | H8 | 177.5° | 174.5° |
| N | C4 | C5 | H9 | 62.5° | 65.3° |
| C4 | N | C9 | H14 | 60.4° | 66.2° |
| C4 | N | C9 | H15 | 179.7° | 173.5° |
| C4 | C5 | C6 | H8 | 120.0° | 119.9° |
| C4 | C5 | C6 | H9 | 120.0° | 120.0° |
| C4 | C5 | C6 | C7 | 56.9° | 61.4° |
| C5 | C4 | N | C9 | 60.2° | 53.6° |
| C5 | C4 | H7 | H6 | 119.7° | 120.3° |
| C4 | C5 | H8 | H9 | 120.0° | 120.1° |
| C4 | C5 | C6 | H10 | 63.2° | 58.6° |
| C4 | C5 | C6 | H11 | 177.1° | 178.6° |
| C5 | C6 | C7 | H10 | 120.1° | 120.0° |
| C5 | C6 | C7 | H11 | 120.1° | 120.1° |
| C5 | C6 | C7 | C8 | 177.8° | 178.7° |
| C5 | C6 | C7 | C9 | 56.7° | 61.3° |
| C6 | C5 | C4 | H7 | 62.6° | 174.4° |
| C6 | C5 | C4 | H6 | 177.6° | 65.3° |
| C6 | C5 | H8 | H9 | 120.1° | 120.0° |
| C5 | C6 | H10 | H11 | 119.6° | 120.0° |
| C5 | C6 | C7 | H | 59.8° | 58.6° |
| C6 | C7 | C8 | C9 | 123.6° | 119.8° |
| C6 | C7 | C8 | H | 117.7° | 120.1° |
| C6 | C7 | C8 | N1 | 98.6° | 60.0° |
| C6 | C7 | C8 | O2 | 79.6° | 120.0° |
| C6 | C7 | C9 | H | 116.4° | 119.9° |
| C6 | C7 | C9 | N | 56.7° | 54.6° |
| C7 | C6 | C5 | H8 | 176.9° | 178.7° |
| C7 | C6 | C5 | H9 | 63.0° | 58.6° |
| C7 | C6 | H10 | H11 | 119.6° | 119.9° |
| C6 | C7 | C9 | H14 | 63.3° | 65.2° |
| C6 | C7 | C9 | H15 | 176.7° | 174.5° |
| C7 | C8 | N1 | O2 | 178.1° | 179.9° |
| C8 | C7 | C9 | H | 118.8° | 120.1° |
| C8 | C7 | C9 | N | 178.5° | 174.6° |
| C7 | C8 | N1 | H13 | 178.2° | 0.1° |
| C7 | C8 | N1 | H12 | 1.8° | 179.7° |
| C8 | C7 | C6 | H10 | 62.1° | 61.3° |
| C8 | C7 | C6 | H11 | 57.7° | 58.6° |
| C8 | C7 | C9 | H14 | 61.5° | 54.8° |
| C8 | C7 | C9 | H15 | 58.5° | 65.5° |
| N1 | C8 | C7 | C9 | 137.8° | 179.8° |
| C8 | N1 | H13 | H12 | 180.0° | 179.6° |
| N1 | C8 | C7 | H | 19.1° | 60.1° |
| O2 | C8 | C7 | C9 | 44.0° | 0.1° |
| O2 | C8 | N1 | H13 | 0.0° | 180.0° |
| O2 | C8 | N1 | H12 | 180.0° | 0.3° |
| O2 | C8 | C7 | H | 162.7° | 120.0° |
| C7 | C9 | N | H14 | 120.0° | 119.8° |
| C7 | C9 | N | H15 | 120.0° | 119.8° |
| C9 | C7 | C6 | H10 | 63.4° | 58.7° |
| C9 | C7 | C6 | H11 | 176.8° | 178.6° |
| C7 | C9 | H14 | H15 | 120.0° | 120.2° |
| C9 | N | C4 | H7 | 59.9° | 173.4° |
| C9 | N | C4 | H6 | 179.8° | 66.2° |
| N | C9 | C7 | H | 59.7° | 65.3° |
| N | C9 | H14 | H15 | 119.9° | 120.4° |
| C2 | C10 | C11 | H16 | 120.4° | 119.9° |
| C2 | C10 | C11 | H17 | 120.4° | 120.0° |
| C2 | C10 | C11 | C12 | 49.7° | 57.0° |
| C10 | C2 | O3 | C13 | 19.6° | 61.2° |
| C2 | C10 | H16 | H17 | 118.8° | 120.2° |
| C10 | C2 | C1 | H4 | 56.8° | 55.0° |
| C10 | C2 | C1 | H5 | 63.2° | 65.0° |
| C2 | C10 | C11 | H18 | 170.1° | 176.8° |
| C2 | C10 | C11 | H19 | 70.7° | 63.0° |
| C10 | C11 | C12 | H18 | 120.4° | 119.8° |
| C10 | C11 | C12 | H19 | 120.4° | 119.9° |
| C10 | C11 | C12 | C13 | 1.1° | 57.0° |
| C11 | C10 | C2 | O3 | 60.9° | 57.6° |
| C11 | C10 | H16 | H17 | 118.8° | 120.1° |
| C10 | C11 | C12 | H20 | 121.6° | 176.9° |
| C10 | C11 | C12 | H21 | 119.4° | 62.9° |
| C10 | C11 | H18 | H19 | 118.8° | 120.2° |
| C11 | C12 | C13 | H20 | 120.5° | 119.9° |
| C11 | C12 | C13 | H21 | 120.6° | 120.0° |
| C11 | C12 | C13 | O3 | 41.2° | 57.6° |
| C12 | C11 | C10 | H16 | 70.7° | 62.9° |
| C12 | C11 | C10 | H17 | 170.1° | 177.0° |
| C11 | C12 | C13 | H22 | 79.7° | 62.3° |
| C11 | C12 | C13 | H23 | 162.0° | 177.7° |
| C11 | C12 | H20 | H21 | 118.3° | 120.2° |
| C12 | C11 | H18 | H19 | 118.8° | 120.3° |
| C12 | C13 | O3 | H22 | 120.9° | 119.9° |
| C12 | C13 | O3 | H23 | 120.8° | 120.1° |
| C12 | C13 | O3 | C2 | 30.8° | 61.1° |
| C12 | C13 | H22 | H23 | 117.3° | 120.1° |
| C13 | C12 | H20 | H21 | 118.3° | 120.1° |
| C13 | C12 | C11 | H18 | 119.2° | 176.8° |
| C13 | C12 | C11 | H19 | 121.5° | 62.9° |
| O3 | C13 | H22 | H23 | 117.3° | 120.0° |
| O3 | C13 | C12 | H20 | 161.7° | 177.5° |
| O3 | C13 | C12 | H21 | 79.3° | 62.4° |
| O3 | C2 | C10 | H16 | 59.5° | 62.3° |
| O3 | C2 | C10 | H17 | 178.7° | 177.6° |
| C2 | O3 | C13 | H22 | 90.1° | 58.8° |
| C2 | O3 | C13 | H23 | 151.6° | 178.8° |
| O3 | C2 | C1 | H4 | 59.6° | 175.0° |
| O3 | C2 | C1 | H5 | 179.6° | 55.0° |
| H7 | C4 | C5 | H8 | 57.4° | 65.7° |
| H7 | C4 | C5 | H9 | 177.3° | 54.5° |
| H6 | C4 | C5 | H8 | 62.4° | 54.6° |
| H6 | C4 | C5 | H9 | 57.6° | 174.8° |
| H8 | C5 | C6 | H10 | 56.8° | 61.3° |
| H8 | C5 | C6 | H11 | 62.9° | 58.7° |
| H9 | C5 | C6 | H10 | 176.9° | 178.6° |
| H9 | C5 | C6 | H11 | 57.1° | 61.4° |
| H10 | C6 | C7 | H | 180.0° | 178.6° |
| H11 | C6 | C7 | H | 60.3° | 61.5° |
| H | C7 | C9 | H14 | 179.8° | 174.9° |
| H | C7 | C9 | H15 | 60.3° | 54.6° |
| H16 | C10 | C11 | H18 | 49.7° | 56.9° |
| H16 | C10 | C11 | H19 | 168.9° | 177.1° |
| H17 | C10 | C11 | H18 | 69.6° | 63.2° |
| H17 | C10 | C11 | H19 | 49.7° | 57.1° |
| H22 | C13 | C12 | H20 | 40.9° | 57.5° |
| H22 | C13 | C12 | H21 | 159.8° | 177.7° |
| H23 | C13 | C12 | H20 | 77.4° | 62.5° |
| H23 | C13 | C12 | H21 | 41.5° | 57.7° |
| H1 | C | H2 | H3 | 120.0° | 119.9° |
| H20 | C12 | C11 | H18 | 1.3° | 63.3° |
| H20 | C12 | C11 | H19 | 118.0° | 57.0° |
| H21 | C12 | C11 | H18 | 120.2° | 56.9° |
| H21 | C12 | C11 | H19 | 1.0° | 177.2° |
