A1H3O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.52Å | |
| O | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.55Å | 1.53Å | |
| N | C3 | sing | 1.47Å | 1.48Å | |
| C5 | N | doub | 1.27Å | 1.28Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | C6 | sing | 1.55Å | 1.53Å | |
| S | C6 | sing | 1.81Å | 1.83Å | |
| C7 | S | sing | 1.81Å | 1.81Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| C9 | N1 | sing | 1.37Å | 1.36Å | |
| N2 | C9 | doub | 1.29Å | 1.29Å | |
| C10 | C5 | sing | 1.48Å | 1.48Å | |
| O1 | C10 | sing | 1.35Å | 1.32Å | |
| O2 | C10 | doub | 1.21Å | 1.22Å | |
| C2 | C11 | sing | 1.51Å | 1.55Å | |
| C11 | O3 | doub | 1.21Å | 1.23Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| O | H7 | sing | 0.97Å | 0.95Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 109.2° | 109.5° |
| C | C1 | C2 | 110.5° | 109.5° |
| C | C1 | H | 110.6° | 109.4° |
| C1 | C | H5 | 109.5° | 109.4° |
| C1 | C | H4 | 109.4° | 109.4° |
| C1 | C | H6 | 109.4° | 109.4° |
| O | C1 | C2 | 103.8° | 109.5° |
| O | C1 | H | 111.9° | 109.4° |
| C1 | O | H7 | 109.5° | 114.0° |
| C1 | C2 | C3 | 134.6° | 109.5° |
| C1 | C2 | C11 | 100.9° | 109.5° |
| C1 | C2 | H3 | 107.5° | 109.5° |
| C2 | C1 | H | 110.6° | 109.5° |
| C2 | C3 | C4 | 103.6° | 110.3° |
| C2 | C3 | N | 110.8° | 110.3° |
| C3 | C2 | C11 | 95.9° | 109.5° |
| C3 | C2 | H3 | 107.3° | 109.5° |
| C2 | C3 | H1 | 111.2° | 110.3° |
| C4 | C3 | N | 107.9° | 105.1° |
| C3 | C4 | C6 | 104.2° | 100.8° |
| C4 | C3 | H1 | 111.2° | 110.3° |
| C3 | C4 | H8 | 110.8° | 111.1° |
| C3 | C4 | H9 | 110.8° | 111.1° |
| C3 | N | C5 | 108.8° | 112.6° |
| N | C3 | H1 | 111.9° | 110.4° |
| N | C5 | C6 | 115.9° | 111.2° |
| N | C5 | C10 | 118.6° | 124.4° |
| C5 | C6 | C4 | 103.3° | 103.8° |
| C5 | C6 | S | 106.9° | 110.5° |
| C6 | C5 | C10 | 125.4° | 124.4° |
| C5 | C6 | H2 | 114.6° | 110.6° |
| C4 | C6 | S | 107.4° | 110.6° |
| C6 | C4 | H8 | 110.8° | 111.2° |
| C6 | C4 | H9 | 110.8° | 111.1° |
| C4 | C6 | H2 | 114.1° | 110.6° |
| C6 | S | C7 | 101.0° | 103.0° |
| S | C6 | H2 | 110.0° | 110.6° |
| S | C7 | C8 | 114.1° | 109.5° |
| S | C7 | H11 | 108.3° | 109.5° |
| S | C7 | H10 | 108.3° | 109.5° |
| C7 | C8 | N1 | 111.6° | 109.5° |
| C8 | C7 | H11 | 108.3° | 109.5° |
| C8 | C7 | H10 | 108.3° | 109.5° |
| C7 | C8 | H12 | 108.9° | 109.4° |
| C7 | C8 | H13 | 108.9° | 109.5° |
| C8 | N1 | C9 | 125.7° | 120.0° |
| N1 | C8 | H12 | 109.0° | 109.5° |
| N1 | C8 | H13 | 109.0° | 109.5° |
| C8 | N1 | H14 | 117.1° | 120.0° |
| N1 | C9 | N2 | 118.1° | 120.0° |
| N1 | C9 | H15 | 121.0° | 120.0° |
| C9 | N1 | H14 | 117.2° | 120.0° |
| N2 | C9 | H15 | 121.0° | 120.0° |
| C9 | N2 | H16 | 112.0° | 120.0° |
| C5 | C10 | O1 | 116.9° | 120.0° |
| C5 | C10 | O2 | 119.8° | 120.0° |
| O1 | C10 | O2 | 123.3° | 120.0° |
| C10 | O1 | H17 | 109.5° | 117.0° |
| C2 | C11 | O3 | 130.0° | 120.0° |
| C11 | C2 | H3 | 107.1° | 109.5° |
| C2 | C11 | H18 | 115.0° | 120.0° |
| O3 | C11 | H18 | 115.0° | 120.0° |
| H8 | C4 | H9 | 109.5° | 111.1° |
| H11 | C7 | H10 | 109.5° | 109.4° |
| H12 | C8 | H13 | 109.4° | 109.5° |
| H5 | C | H4 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.5° |
| H4 | C | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | C2 | 117.9° | 120.0° |
| C | C1 | O | H | 122.8° | 119.9° |
| C | C1 | C2 | H | 122.8° | 120.0° |
| C | C1 | C2 | C3 | 178.0° | 60.0° |
| C | C1 | C2 | C11 | 68.4° | 180.0° |
| C | C1 | C2 | H3 | 43.6° | 60.0° |
| C1 | C | H5 | H4 | 120.0° | 120.0° |
| C1 | C | H5 | H6 | 120.0° | 119.9° |
| C1 | C | H4 | H6 | 120.0° | 120.0° |
| C | C1 | O | H7 | 180.0° | 60.0° |
| O | C1 | C2 | H | 120.2° | 120.0° |
| O | C1 | C2 | C3 | 64.9° | 60.0° |
| O | C1 | C2 | C11 | 174.6° | 60.0° |
| O | C1 | C2 | H3 | 73.4° | 180.0° |
| O | C1 | C | H5 | 180.0° | 60.0° |
| O | C1 | C | H4 | 60.0° | 180.0° |
| O | C1 | C | H6 | 60.0° | 60.0° |
| C1 | C2 | C3 | C11 | 111.6° | 120.0° |
| C1 | C2 | C3 | H3 | 138.4° | 120.0° |
| C1 | C2 | C3 | C4 | 110.0° | 180.0° |
| C1 | C2 | C3 | N | 134.6° | 64.3° |
| C1 | C2 | C11 | H3 | 112.3° | 120.0° |
| C1 | C2 | C11 | O3 | 114.2° | 120.0° |
| C1 | C2 | C3 | H1 | 9.5° | 57.8° |
| C2 | C1 | C | H5 | 66.4° | 180.0° |
| C2 | C1 | C | H4 | 53.6° | 60.0° |
| C2 | C1 | C | H6 | 173.6° | 60.0° |
| C2 | C1 | O | H7 | 62.2° | 180.0° |
| C1 | C2 | C11 | H18 | 65.8° | 60.0° |
| C2 | C3 | C4 | N | 117.5° | 118.9° |
| C2 | C3 | C4 | H1 | 119.5° | 122.1° |
| C2 | C3 | N | H1 | 124.7° | 122.1° |
| C2 | C3 | N | C5 | 112.9° | 135.2° |
| C2 | C3 | C4 | C6 | 117.0° | 142.9° |
| C3 | C2 | C11 | H3 | 110.1° | 120.0° |
| C3 | C2 | C11 | O3 | 108.2° | 120.0° |
| C2 | C3 | C4 | H8 | 123.8° | 99.2° |
| C2 | C3 | C4 | H9 | 2.2° | 25.0° |
| C3 | C2 | C1 | H | 55.2° | 180.0° |
| C3 | C2 | C11 | H18 | 71.8° | 60.0° |
| C4 | C3 | N | H1 | 122.6° | 118.9° |
| C4 | C3 | N | C5 | 0.1° | 16.2° |
| C3 | C4 | C6 | C5 | 0.8° | 23.5° |
| C3 | C4 | C6 | H8 | 119.2° | 117.9° |
| C3 | C4 | C6 | H9 | 119.2° | 117.8° |
| C3 | C4 | C6 | S | 113.6° | 95.0° |
| C4 | C3 | C2 | C11 | 138.4° | 60.0° |
| C4 | C3 | C2 | H3 | 28.5° | 60.0° |
| C3 | C4 | H8 | H9 | 122.4° | 124.3° |
| C3 | C4 | C6 | H2 | 124.2° | 142.1° |
| C3 | N | C5 | C6 | 0.7° | 0.2° |
| N | C3 | C4 | C6 | 0.5° | 24.0° |
| C3 | N | C5 | C10 | 177.2° | 179.9° |
| N | C3 | C2 | C11 | 23.0° | 55.6° |
| N | C3 | C2 | H3 | 86.9° | 175.6° |
| N | C3 | C4 | H8 | 118.7° | 141.9° |
| N | C3 | C4 | H9 | 119.7° | 93.9° |
| N | C5 | C6 | C10 | 177.8° | 179.9° |
| N | C5 | C6 | C4 | 1.0° | 15.9° |
| N | C5 | C6 | S | 114.1° | 102.7° |
| N | C5 | C10 | O1 | 146.7° | 0.1° |
| N | C5 | C10 | O2 | 34.3° | 179.9° |
| C5 | N | C3 | H1 | 122.5° | 102.7° |
| N | C5 | C6 | H2 | 123.7° | 134.5° |
| C5 | C6 | C4 | S | 112.8° | 118.5° |
| C5 | C6 | C4 | H2 | 125.1° | 118.6° |
| C5 | C6 | S | H2 | 125.1° | 122.8° |
| C5 | C6 | S | C7 | 98.9° | 70.6° |
| C6 | C5 | C10 | O1 | 35.5° | 180.0° |
| C6 | C5 | C10 | O2 | 143.5° | 0.1° |
| C5 | C6 | C4 | H8 | 118.3° | 141.4° |
| C5 | C6 | C4 | H9 | 120.0° | 94.3° |
| C4 | C6 | S | H2 | 124.7° | 122.9° |
| C4 | C6 | S | C7 | 150.8° | 175.0° |
| C4 | C6 | C5 | C10 | 176.8° | 164.0° |
| C6 | C4 | C3 | H1 | 123.5° | 95.0° |
| C6 | C4 | H8 | H9 | 122.4° | 124.3° |
| C6 | S | C7 | C8 | 104.8° | 180.0° |
| S | C6 | C5 | C10 | 63.7° | 77.4° |
| S | C6 | C4 | H8 | 5.6° | 22.9° |
| S | C6 | C4 | H9 | 127.2° | 147.1° |
| C6 | S | C7 | H11 | 15.9° | 60.0° |
| C6 | S | C7 | H10 | 134.6° | 60.0° |
| S | C7 | C8 | H11 | 120.7° | 120.0° |
| S | C7 | C8 | H10 | 120.7° | 120.0° |
| S | C7 | C8 | N1 | 2.9° | 180.0° |
| C7 | S | C6 | H2 | 26.1° | 52.1° |
| S | C7 | H11 | H10 | 117.9° | 120.0° |
| S | C7 | C8 | H12 | 117.4° | 60.0° |
| S | C7 | C8 | H13 | 123.3° | 60.0° |
| C7 | C8 | N1 | H12 | 120.3° | 120.0° |
| C7 | C8 | N1 | H13 | 120.3° | 120.0° |
| C7 | C8 | N1 | C9 | 79.1° | 180.0° |
| C8 | C7 | H11 | H10 | 117.9° | 120.0° |
| C7 | C8 | H12 | H13 | 119.0° | 120.0° |
| C7 | C8 | N1 | H14 | 100.9° | 0.0° |
| C8 | N1 | C9 | H14 | 180.0° | 180.0° |
| C8 | N1 | C9 | N2 | 0.4° | 0.1° |
| N1 | C8 | C7 | H11 | 123.6° | 60.0° |
| N1 | C8 | C7 | H10 | 117.8° | 60.0° |
| N1 | C8 | H12 | H13 | 119.0° | 120.0° |
| C8 | N1 | C9 | H15 | 179.6° | 180.0° |
| N1 | C9 | N2 | H15 | 180.0° | 180.0° |
| C9 | N1 | C8 | H12 | 41.2° | 60.0° |
| C9 | N1 | C8 | H13 | 160.5° | 60.0° |
| N1 | C9 | N2 | H16 | 180.0° | 180.0° |
| N2 | C9 | N1 | H14 | 179.6° | 180.0° |
| C5 | C10 | O1 | O2 | 179.0° | 180.0° |
| C10 | C5 | C6 | H2 | 58.5° | 45.4° |
| C5 | C10 | O1 | H17 | 179.0° | 180.0° |
| O2 | C10 | O1 | H17 | 0.0° | 0.0° |
| C2 | C11 | O3 | H18 | 180.0° | 180.0° |
| C11 | C2 | C3 | H1 | 102.1° | 177.8° |
| C11 | C2 | C1 | H | 54.4° | 60.0° |
| O3 | C11 | C2 | H3 | 1.9° | 0.0° |
| H3 | C2 | C3 | H1 | 148.0° | 62.2° |
| H3 | C2 | C1 | H | 166.4° | 60.0° |
| H3 | C2 | C11 | H18 | 178.1° | 180.0° |
| H1 | C3 | C4 | H8 | 4.4° | 22.9° |
| H1 | C3 | C4 | H9 | 117.3° | 147.1° |
| H8 | C4 | C6 | H2 | 116.6° | 100.0° |
| H9 | C4 | C6 | H2 | 5.1° | 24.3° |
| H11 | C7 | C8 | H12 | 3.3° | 60.0° |
| H11 | C7 | C8 | H13 | 116.0° | 180.0° |
| H10 | C7 | C8 | H12 | 121.9° | 180.0° |
| H10 | C7 | C8 | H13 | 2.6° | 60.0° |
| H12 | C8 | N1 | H14 | 138.8° | 119.9° |
| H13 | C8 | N1 | H14 | 19.5° | 120.0° |
| H15 | C9 | N2 | H16 | 0.0° | 0.1° |
| H15 | C9 | N1 | H14 | 0.4° | 0.0° |
| H | C1 | C | H5 | 56.4° | 60.0° |
| H | C1 | C | H4 | 176.4° | 60.0° |
| H | C1 | C | H6 | 63.6° | 179.9° |
| H | C1 | O | H7 | 57.2° | 60.0° |
| H5 | C | H4 | H6 | 120.0° | 120.0° |
