A1H3N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.51Å | |
| O | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.55Å | 1.52Å | |
| 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 | 1.46Å | 1.46Å | |
| C9 | N1 | sing | 1.37Å | 1.35Å | |
| N2 | C9 | doub | 1.29Å | 1.30Å | |
| C10 | C5 | sing | 1.48Å | 1.49Å | |
| O1 | C10 | sing | 1.35Å | 1.31Å | |
| O2 | C10 | doub | 1.21Å | 1.22Å | |
| C2 | C11 | sing | 1.51Å | 1.54Å | |
| C11 | O3 | doub | 1.21Å | 1.24Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| O | H7 | sing | 0.97Å | 0.95Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | 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 | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 110.5° | 109.5° |
| C | C1 | C2 | 110.9° | 109.4° |
| C1 | C | H6 | 109.5° | 109.5° |
| C1 | C | H5 | 109.4° | 109.4° |
| C1 | C | H4 | 109.5° | 109.5° |
| C | C1 | H | 109.6° | 109.4° |
| O | C1 | C2 | 105.5° | 109.5° |
| C1 | O | H7 | 109.5° | 114.0° |
| O | C1 | H | 110.7° | 109.5° |
| C1 | C2 | C3 | 113.1° | 109.4° |
| C1 | C2 | C11 | 103.0° | 109.5° |
| C2 | C1 | H | 109.6° | 109.5° |
| C1 | C2 | H3 | 113.6° | 109.5° |
| C2 | C3 | C4 | 104.3° | 110.3° |
| C2 | C3 | N | 115.4° | 110.3° |
| C3 | C2 | C11 | 99.3° | 109.5° |
| C3 | C2 | H3 | 113.4° | 109.4° |
| C2 | C3 | H1 | 109.5° | 110.3° |
| C4 | C3 | N | 107.5° | 105.1° |
| C3 | C4 | C6 | 105.2° | 100.8° |
| C4 | C3 | H1 | 109.6° | 110.4° |
| C3 | C4 | H9 | 110.5° | 111.2° |
| C3 | C4 | H8 | 110.5° | 111.1° |
| C3 | N | C5 | 108.6° | 112.6° |
| N | C3 | H1 | 110.2° | 110.3° |
| N | C5 | C6 | 116.8° | 111.2° |
| N | C5 | C10 | 120.8° | 124.4° |
| C5 | C6 | C4 | 101.8° | 103.8° |
| C5 | C6 | S | 107.5° | 110.5° |
| C6 | C5 | C10 | 122.4° | 124.4° |
| C5 | C6 | H2 | 112.1° | 110.6° |
| C4 | C6 | S | 115.9° | 110.5° |
| C6 | C4 | H9 | 110.5° | 111.1° |
| C6 | C4 | H8 | 110.5° | 111.2° |
| C4 | C6 | H2 | 111.6° | 110.6° |
| C6 | S | C7 | 101.1° | 103.0° |
| S | C6 | H2 | 107.9° | 110.7° |
| S | C7 | C8 | 111.4° | 109.5° |
| S | C7 | H11 | 109.0° | 109.4° |
| S | C7 | H10 | 109.0° | 109.5° |
| C7 | C8 | N1 | 111.3° | 109.4° |
| C8 | C7 | H11 | 109.0° | 109.5° |
| C8 | C7 | H10 | 109.0° | 109.5° |
| C7 | C8 | H12 | 109.0° | 109.4° |
| C7 | C8 | H13 | 109.0° | 109.4° |
| C8 | N1 | C9 | 125.5° | 120.0° |
| N1 | C8 | H12 | 109.0° | 109.5° |
| N1 | C8 | H13 | 109.0° | 109.5° |
| C8 | N1 | H14 | 117.3° | 120.0° |
| N1 | C9 | N2 | 118.4° | 120.0° |
| N1 | C9 | H15 | 120.8° | 120.0° |
| C9 | N1 | H14 | 117.3° | 120.0° |
| N2 | C9 | H15 | 120.8° | 120.0° |
| C9 | N2 | H16 | 112.0° | 120.0° |
| C5 | C10 | O1 | 115.4° | 120.0° |
| C5 | C10 | O2 | 121.0° | 120.0° |
| O1 | C10 | O2 | 123.6° | 120.0° |
| C10 | O1 | H17 | 109.5° | 117.0° |
| C2 | C11 | O3 | 128.6° | 120.0° |
| C2 | C11 | H18 | 115.7° | 120.0° |
| C11 | C2 | H3 | 113.2° | 109.5° |
| O3 | C11 | H18 | 115.7° | 120.1° |
| H6 | C | H5 | 109.5° | 109.5° |
| H6 | C | H4 | 109.5° | 109.4° |
| H5 | C | H4 | 109.5° | 109.5° |
| H9 | C4 | H8 | 109.4° | 111.0° |
| H11 | C7 | H10 | 109.4° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | C2 | 119.9° | 120.0° |
| C | C1 | O | H | 121.6° | 120.0° |
| C | C1 | C2 | H | 121.1° | 120.0° |
| C | C1 | C2 | C3 | 177.1° | NaN° |
| C | C1 | C2 | C11 | 76.7° | 60.0° |
| C1 | C | H6 | H5 | 120.0° | 120.0° |
| C1 | C | H6 | H4 | 120.0° | 120.0° |
| C1 | C | H5 | H4 | 120.0° | 120.0° |
| C | C1 | O | H7 | 180.0° | 60.0° |
| C | C1 | C2 | H3 | 46.0° | 60.0° |
| O | C1 | C2 | H | 119.2° | 120.1° |
| O | C1 | C2 | C3 | 57.5° | 60.0° |
| O | C1 | C2 | C11 | 163.6° | 180.0° |
| O | C1 | C | H6 | 180.0° | 60.0° |
| O | C1 | C | H5 | 60.0° | 180.0° |
| O | C1 | C | H4 | 60.0° | 59.9° |
| O | C1 | C2 | H3 | 73.6° | 59.9° |
| C1 | C2 | C3 | C11 | 108.5° | 120.0° |
| C1 | C2 | C3 | H3 | 131.2° | 120.0° |
| C1 | C2 | C3 | C4 | 96.1° | 177.1° |
| C1 | C2 | C3 | N | 146.2° | 61.4° |
| C1 | C2 | C11 | H3 | 123.1° | 120.1° |
| C1 | C2 | C11 | O3 | 125.8° | 120.0° |
| C2 | C1 | C | H6 | 63.4° | 180.0° |
| C2 | C1 | C | H5 | 56.6° | 60.0° |
| C2 | C1 | C | H4 | 176.6° | 60.0° |
| C2 | C1 | O | H7 | 60.1° | 60.0° |
| C1 | C2 | C11 | H18 | 54.2° | 60.0° |
| C1 | C2 | C3 | H1 | 21.1° | 60.7° |
| C2 | C3 | C4 | N | 123.0° | 118.9° |
| C2 | C3 | C4 | H1 | 117.1° | 122.1° |
| C2 | C3 | N | H1 | 124.7° | 122.1° |
| C2 | C3 | N | C5 | 115.2° | 135.1° |
| C2 | C3 | C4 | C6 | 122.6° | 142.9° |
| C3 | C2 | C11 | H3 | 120.5° | 120.0° |
| C3 | C2 | C11 | O3 | 117.8° | 120.0° |
| C3 | C2 | C1 | H | 61.8° | 60.0° |
| C3 | C2 | C11 | H18 | 62.2° | 60.0° |
| C2 | C3 | C4 | H9 | 118.0° | 99.2° |
| C2 | C3 | C4 | H8 | 3.3° | 25.0° |
| C4 | C3 | N | H1 | 119.4° | 119.0° |
| C4 | C3 | N | C5 | 0.7° | 16.2° |
| C3 | C4 | C6 | C5 | 0.0° | 23.6° |
| C3 | C4 | C6 | H9 | 119.3° | 117.9° |
| C3 | C4 | C6 | H8 | 119.3° | 117.9° |
| C3 | C4 | C6 | S | 116.2° | 142.1° |
| C4 | C3 | C2 | C11 | 155.5° | 57.1° |
| C4 | C3 | C2 | H3 | 35.1° | 62.9° |
| C3 | C4 | H9 | H8 | 122.0° | 124.2° |
| C3 | C4 | C6 | H2 | 119.7° | 95.0° |
| C3 | N | C5 | C6 | 0.8° | 0.0° |
| N | C3 | C4 | C6 | 0.4° | 24.0° |
| C3 | N | C5 | C10 | 177.3° | 179.9° |
| N | C3 | C2 | C11 | 37.7° | 58.6° |
| N | C3 | C2 | H3 | 82.6° | 178.5° |
| N | C3 | C4 | H9 | 118.9° | 141.8° |
| N | C3 | C4 | H8 | 119.7° | 94.0° |
| N | C5 | C6 | C10 | 178.0° | 180.0° |
| N | C5 | C6 | C4 | 0.5° | 16.0° |
| N | C5 | C6 | S | 122.7° | 134.5° |
| N | C5 | C10 | O1 | 50.7° | 5.4° |
| N | C5 | C10 | O2 | 128.8° | 174.6° |
| C5 | N | C3 | H1 | 120.1° | 102.8° |
| N | C5 | C6 | H2 | 118.9° | 102.6° |
| C5 | C6 | C4 | S | 116.3° | 118.5° |
| C5 | C6 | C4 | H2 | 119.7° | 118.6° |
| C5 | C6 | S | H2 | 121.0° | 122.8° |
| C5 | C6 | S | C7 | 156.1° | 179.0° |
| C6 | C5 | C10 | O1 | 127.3° | 174.7° |
| C6 | C5 | C10 | O2 | 53.2° | 5.3° |
| C5 | C6 | C4 | H9 | 119.3° | 141.4° |
| C5 | C6 | C4 | H8 | 119.3° | 94.3° |
| C4 | C6 | S | H2 | 125.9° | 122.8° |
| C4 | C6 | S | C7 | 43.0° | 66.6° |
| C4 | C6 | C5 | C10 | 177.6° | 164.1° |
| C6 | C4 | C3 | H1 | 120.2° | 95.0° |
| C6 | C4 | H9 | H8 | 122.0° | 124.4° |
| C6 | S | C7 | C8 | 157.5° | 175.0° |
| S | C6 | C5 | C10 | 55.3° | 45.5° |
| S | C6 | C4 | H9 | 124.4° | 100.0° |
| S | C6 | C4 | H8 | 3.1° | 24.2° |
| C6 | S | C7 | H11 | 37.2° | 65.0° |
| C6 | S | C7 | H10 | 82.3° | 54.9° |
| S | C7 | C8 | H11 | 120.3° | 120.0° |
| S | C7 | C8 | H10 | 120.3° | 120.0° |
| S | C7 | C8 | N1 | 30.4° | 180.0° |
| C7 | S | C6 | H2 | 82.9° | 56.2° |
| S | C7 | H11 | H10 | 119.1° | 120.0° |
| S | C7 | C8 | H12 | 150.7° | 60.0° |
| S | C7 | C8 | H13 | 89.9° | 60.0° |
| C7 | C8 | N1 | H12 | 120.3° | 120.0° |
| C7 | C8 | N1 | H13 | 120.3° | 120.0° |
| C7 | C8 | N1 | C9 | 128.2° | 180.0° |
| C8 | C7 | H11 | H10 | 119.1° | 120.0° |
| C7 | C8 | H12 | H13 | 119.1° | 119.9° |
| C7 | C8 | N1 | H14 | 51.8° | 0.0° |
| C8 | N1 | C9 | H14 | 180.0° | 180.0° |
| C8 | N1 | C9 | N2 | 0.2° | 0.0° |
| N1 | C8 | C7 | H11 | 89.9° | 60.0° |
| N1 | C8 | C7 | H10 | 150.7° | 60.0° |
| N1 | C8 | H12 | H13 | 119.2° | 120.1° |
| C8 | N1 | C9 | H15 | 179.8° | 180.0° |
| N1 | C9 | N2 | H15 | 180.0° | 180.0° |
| C9 | N1 | C8 | H12 | 111.5° | 60.0° |
| C9 | N1 | C8 | H13 | 7.9° | 60.0° |
| N1 | C9 | N2 | H16 | 180.0° | 180.0° |
| N2 | C9 | N1 | H14 | 179.8° | 180.0° |
| C5 | C10 | O1 | O2 | 179.5° | 180.0° |
| C10 | C5 | C6 | H2 | 63.1° | 77.4° |
| C5 | C10 | O1 | H17 | 179.5° | 180.0° |
| O2 | C10 | O1 | H17 | 0.0° | 0.0° |
| C2 | C11 | O3 | H18 | 180.0° | 180.0° |
| C11 | C2 | C1 | H | 44.4° | 60.0° |
| C11 | C2 | C3 | H1 | 87.4° | 179.3° |
| O3 | C11 | C2 | H3 | 2.7° | 0.0° |
| H6 | C | H5 | H4 | 120.0° | 120.0° |
| H6 | C | C1 | H | 57.7° | 60.0° |
| H5 | C | C1 | H | 177.7° | 60.0° |
| H4 | C | C1 | H | 62.3° | 180.0° |
| H7 | O | C1 | H | 58.4° | 179.9° |
| H | C1 | C2 | H3 | 167.2° | 180.0° |
| H18 | C11 | C2 | H3 | 177.3° | 180.0° |
| H3 | C2 | C3 | H1 | 152.3° | 59.3° |
| H1 | C3 | C4 | H9 | 0.9° | 22.9° |
| H1 | C3 | C4 | H8 | 120.4° | 147.1° |
| H9 | C4 | C6 | H2 | 0.4° | 22.9° |
| H8 | C4 | C6 | H2 | 121.0° | 147.1° |
| H11 | C7 | C8 | H12 | 30.4° | 60.0° |
| H11 | C7 | C8 | H13 | 149.8° | 180.0° |
| H10 | C7 | C8 | H12 | 89.0° | 180.0° |
| H10 | C7 | C8 | H13 | 30.4° | 60.0° |
| H12 | C8 | N1 | H14 | 68.5° | 120.0° |
| H13 | C8 | N1 | H14 | 172.1° | 120.0° |
| H15 | C9 | N1 | H14 | 0.2° | 0.0° |
| H15 | C9 | N2 | H16 | 0.0° | 0.0° |
