A1L3Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C4 | sing | 1.49Å | 1.50Å | |
| N1 | C3 | sing | 1.49Å | 1.52Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| O3 | C5 | sing | 1.43Å | 1.42Å | |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C3 | C6 | sing | 1.54Å | 1.53Å | |
| C6 | O4 | sing | 1.43Å | 1.42Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 1.01Å | 1.00Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| O4 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N1 | C3 | 104.9° | 104.2° |
| N1 | C4 | C5 | 105.0° | 104.6° |
| N1 | C4 | H1 | 110.6° | 110.4° |
| N1 | C4 | H2 | 110.6° | 110.5° |
| C4 | N1 | H5 | 110.6° | 111.1° |
| N1 | C3 | C2 | 112.2° | 110.4° |
| N1 | C3 | C6 | 99.4° | 104.6° |
| C3 | N1 | H5 | 110.6° | 111.0° |
| N1 | C3 | H7 | 108.6° | 110.4° |
| C4 | C5 | O3 | 112.7° | 110.3° |
| C4 | C5 | C6 | 104.8° | 105.1° |
| C5 | C4 | H1 | 110.6° | 110.4° |
| C5 | C4 | H2 | 110.6° | 110.4° |
| C4 | C5 | H3 | 109.2° | 110.4° |
| O3 | C5 | C6 | 110.2° | 110.3° |
| O3 | C5 | H3 | 110.7° | 110.4° |
| C5 | O3 | H13 | 109.5° | 114.0° |
| O2 | C2 | C3 | 109.6° | 109.5° |
| O2 | C2 | C1 | 108.9° | 109.5° |
| O2 | C2 | H11 | 109.4° | 109.4° |
| C2 | O2 | H12 | 109.5° | 114.0° |
| C5 | C6 | C3 | 106.3° | 105.0° |
| C5 | C6 | O4 | 111.6° | 110.3° |
| C6 | C5 | H3 | 109.1° | 110.3° |
| C5 | C6 | H4 | 109.1° | 110.3° |
| C3 | C2 | C1 | 111.9° | 109.5° |
| C2 | C3 | C6 | 118.6° | 110.4° |
| C2 | C3 | H7 | 108.8° | 110.4° |
| C3 | C2 | H11 | 108.6° | 109.5° |
| C2 | C1 | O1 | 115.6° | 109.5° |
| C2 | C1 | H9 | 107.9° | 109.5° |
| C2 | C1 | H10 | 107.9° | 109.4° |
| C1 | C2 | H11 | 108.4° | 109.5° |
| C3 | C6 | O4 | 109.8° | 110.3° |
| C3 | C6 | H4 | 109.2° | 110.3° |
| C6 | C3 | H7 | 108.6° | 110.4° |
| O4 | C6 | H4 | 110.7° | 110.4° |
| C6 | O4 | H14 | 109.5° | 114.0° |
| C1 | O1 | H8 | 109.5° | 114.0° |
| O1 | C1 | H9 | 107.9° | 109.5° |
| O1 | C1 | H10 | 107.9° | 109.4° |
| H1 | C4 | H2 | 109.5° | 110.3° |
| H9 | C1 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N1 | C3 | H5 | 119.3° | 119.6° |
| N1 | C4 | C5 | H1 | 119.3° | 118.8° |
| N1 | C4 | C5 | H2 | 119.3° | 118.9° |
| N1 | C4 | C5 | O3 | 108.1° | 95.0° |
| N1 | C4 | C5 | C6 | 11.7° | 23.8° |
| C4 | N1 | C3 | C2 | 170.6° | 158.3° |
| C4 | N1 | C3 | C6 | 44.4° | 39.4° |
| N1 | C4 | H1 | H2 | 122.1° | 122.4° |
| N1 | C4 | C5 | H3 | 128.5° | 142.7° |
| C4 | N1 | C3 | H7 | 69.0° | 79.4° |
| C3 | N1 | C4 | C5 | 35.6° | 39.4° |
| N1 | C3 | C2 | O2 | 60.6° | 63.6° |
| N1 | C3 | C6 | C5 | 36.5° | 23.8° |
| N1 | C3 | C2 | C6 | 115.1° | 115.2° |
| N1 | C3 | C2 | H7 | 120.3° | 122.4° |
| N1 | C3 | C2 | C1 | 178.5° | 56.4° |
| N1 | C3 | C6 | H7 | 113.4° | 118.8° |
| N1 | C3 | C6 | O4 | 157.3° | 142.7° |
| C3 | N1 | C4 | H1 | 154.9° | 79.4° |
| C3 | N1 | C4 | H2 | 83.6° | 158.3° |
| N1 | C3 | C6 | H4 | 81.1° | 95.1° |
| N1 | C3 | C2 | H11 | 58.8° | 176.4° |
| C4 | C5 | O3 | C6 | 116.7° | 115.6° |
| C4 | C5 | O3 | H3 | 122.6° | 122.3° |
| C4 | C5 | C6 | H3 | 116.9° | 118.9° |
| C4 | C5 | C6 | C3 | 16.0° | 0.0° |
| C4 | C5 | C6 | O4 | 135.7° | 118.9° |
| C5 | C4 | H1 | H2 | 122.1° | 122.4° |
| C4 | C5 | C6 | H4 | 101.6° | 118.9° |
| C5 | C4 | N1 | H5 | 154.9° | 159.0° |
| C4 | C5 | O3 | H13 | 180.0° | 61.5° |
| O3 | C5 | C6 | H3 | 121.6° | 122.2° |
| O3 | C5 | C6 | C3 | 137.5° | 118.9° |
| O3 | C5 | C6 | O4 | 102.8° | 122.2° |
| O3 | C5 | C4 | H1 | 11.2° | 146.2° |
| O3 | C5 | C4 | H2 | 132.7° | 23.9° |
| O3 | C5 | C6 | H4 | 19.9° | 0.0° |
| O2 | C2 | C3 | C1 | 120.9° | 120.0° |
| O2 | C2 | C3 | H11 | 119.4° | 120.0° |
| O2 | C2 | C1 | H11 | 119.0° | 120.0° |
| O2 | C2 | C3 | C6 | 175.7° | 51.6° |
| O2 | C2 | C1 | O1 | 69.8° | 65.0° |
| O2 | C2 | C3 | H7 | 59.6° | 174.0° |
| O2 | C2 | C1 | H9 | 51.1° | 55.0° |
| O2 | C2 | C1 | H10 | 169.3° | 175.1° |
| C5 | C6 | C3 | C2 | 158.3° | 142.6° |
| C5 | C6 | C3 | O4 | 120.8° | 118.9° |
| C5 | C6 | C3 | H4 | 117.6° | 118.9° |
| C5 | C6 | O4 | H4 | 121.7° | 122.2° |
| C6 | C5 | C4 | H1 | 131.1° | 94.9° |
| C6 | C5 | C4 | H2 | 107.5° | 142.8° |
| C5 | C6 | C3 | H7 | 76.9° | 94.9° |
| C6 | C5 | O3 | H13 | 63.3° | 177.1° |
| C5 | C6 | O4 | H14 | 180.0° | 61.5° |
| C3 | C2 | C1 | H11 | 119.8° | 120.0° |
| C2 | C3 | C6 | H7 | 124.8° | 122.4° |
| C2 | C3 | C6 | O4 | 80.9° | 98.5° |
| C3 | C2 | C1 | O1 | 51.5° | 175.0° |
| C2 | C3 | C6 | H4 | 40.7° | 23.8° |
| C2 | C3 | N1 | H5 | 70.0° | 82.1° |
| C3 | C2 | C1 | H9 | 172.4° | 65.0° |
| C3 | C2 | C1 | H10 | 69.4° | 55.1° |
| C3 | C2 | O2 | H12 | 180.0° | 60.0° |
| C1 | C2 | C3 | C6 | 63.4° | 171.7° |
| C2 | C1 | O1 | H9 | 120.9° | 120.0° |
| C2 | C1 | O1 | H10 | 120.9° | 119.9° |
| C1 | C2 | C3 | H7 | 61.3° | 65.9° |
| C2 | C1 | O1 | H8 | 180.0° | 180.0° |
| C2 | C1 | H9 | H10 | 117.2° | 120.0° |
| C1 | C2 | O2 | H12 | 57.3° | 60.0° |
| C3 | C6 | O4 | H4 | 120.7° | 122.2° |
| C3 | C6 | C5 | H3 | 100.9° | 118.9° |
| C6 | C3 | N1 | H5 | 163.7° | 159.0° |
| C6 | C3 | C2 | H11 | 56.3° | 68.3° |
| C3 | C6 | O4 | H14 | 62.4° | 177.1° |
| O4 | C6 | C5 | H3 | 18.8° | 0.1° |
| O4 | C6 | C3 | H7 | 43.9° | 23.9° |
| O1 | C1 | H9 | H10 | 117.2° | 120.0° |
| O1 | C1 | C2 | H11 | 171.2° | 54.9° |
| H1 | C4 | C5 | H3 | 112.2° | 23.9° |
| H1 | C4 | N1 | H5 | 85.8° | 40.2° |
| H2 | C4 | C5 | H3 | 9.2° | 98.4° |
| H2 | C4 | N1 | H5 | 35.6° | 82.1° |
| H3 | C5 | C6 | H4 | 141.5° | 122.2° |
| H3 | C5 | O3 | H13 | 57.4° | 60.7° |
| H4 | C6 | C3 | H7 | 165.5° | 146.2° |
| H4 | C6 | O4 | H14 | 58.3° | 60.7° |
| H5 | N1 | C3 | H7 | 50.3° | 40.3° |
| H7 | C3 | C2 | H11 | 179.1° | 54.1° |
| H8 | O1 | C1 | H9 | 59.1° | 59.9° |
| H8 | O1 | C1 | H10 | 59.1° | 60.1° |
| H9 | C1 | C2 | H11 | 67.9° | 174.9° |
| H10 | C1 | C2 | H11 | 50.3° | 65.0° |
| H11 | C2 | O2 | H12 | 61.1° | 179.9° |
