A1LW0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.46Å | 1.44Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| C2 | N2 | doub | 1.35Å | 1.37Å | |
| N2 | N3 | sing | 1.29Å | 1.35Å | |
| N3 | O1 | doub | 1.22Å | 1.25Å | |
| N3 | O2 | sing | 1.22Å | 1.25Å | |
| C2 | N4 | sing | 1.35Å | 1.35Å | |
| N4 | C3 | sing | 1.46Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| C5 | C6 | sing | 1.54Å | 1.48Å | |
| C6 | O3 | sing | 1.44Å | 1.44Å | |
| O3 | C7 | sing | 1.44Å | 1.43Å | |
| C4 | C7 | sing | 1.55Å | 1.52Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N4 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 125.8° | 120.0° |
| C1 | N1 | H4 | 117.1° | 120.1° |
| N1 | C1 | H1 | 109.5° | 109.4° |
| N1 | C1 | H3 | 109.4° | 109.5° |
| N1 | C1 | H2 | 109.4° | 109.5° |
| N1 | C2 | N2 | 119.1° | 120.0° |
| N1 | C2 | N4 | 126.2° | 120.0° |
| C2 | N1 | H4 | 117.1° | 119.9° |
| C2 | N2 | N3 | 122.7° | 120.0° |
| N2 | C2 | N4 | 114.1° | 120.0° |
| N2 | N3 | O1 | 122.5° | 120.0° |
| N2 | N3 | O2 | 119.8° | 120.0° |
| O1 | N3 | O2 | 117.7° | 120.0° |
| C2 | N4 | C3 | 129.6° | 120.0° |
| C2 | N4 | H5 | 115.2° | 120.0° |
| N4 | C3 | C4 | 107.0° | 109.4° |
| N4 | C3 | H7 | 110.1° | 109.5° |
| N4 | C3 | H6 | 110.1° | 109.5° |
| C3 | N4 | H5 | 115.2° | 120.0° |
| C3 | C4 | C5 | 116.3° | 110.9° |
| C3 | C4 | C7 | 117.4° | 110.9° |
| C3 | C4 | H8 | 107.9° | 110.9° |
| C4 | C3 | H7 | 110.1° | 109.5° |
| C4 | C3 | H6 | 110.1° | 109.4° |
| C4 | C5 | C6 | 102.0° | 104.2° |
| C5 | C4 | C7 | 99.0° | 102.1° |
| C5 | C4 | H8 | 107.8° | 110.9° |
| C4 | C5 | H10 | 111.3° | 110.5° |
| C4 | C5 | H9 | 111.3° | 110.5° |
| C5 | C6 | O3 | 107.2° | 107.3° |
| C6 | C5 | H10 | 111.3° | 110.5° |
| C6 | C5 | H9 | 111.3° | 110.5° |
| C5 | C6 | H12 | 110.0° | 109.9° |
| C5 | C6 | H11 | 110.1° | 109.9° |
| C6 | O3 | C7 | 108.2° | 107.0° |
| O3 | C6 | H12 | 110.0° | 109.9° |
| O3 | C6 | H11 | 110.0° | 109.9° |
| O3 | C7 | C4 | 105.3° | 103.5° |
| O3 | C7 | H14 | 110.5° | 110.6° |
| O3 | C7 | H13 | 110.5° | 110.8° |
| C7 | C4 | H8 | 107.9° | 110.9° |
| C4 | C7 | H14 | 110.5° | 110.6° |
| C4 | C7 | H13 | 110.5° | 110.6° |
| H10 | C5 | H9 | 109.5° | 110.6° |
| H12 | C6 | H11 | 109.5° | 109.9° |
| H14 | C7 | H13 | 109.5° | 110.6° |
| H7 | C3 | H6 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H4 | 180.0° | 179.9° |
| C1 | N1 | C2 | N2 | 172.4° | 170.7° |
| C1 | N1 | C2 | N4 | 17.0° | 9.3° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H3 | H2 | 120.0° | 120.1° |
| N1 | C2 | N2 | N4 | 171.7° | 180.0° |
| N1 | C2 | N2 | N3 | 3.9° | 19.4° |
| N1 | C2 | N4 | C3 | 5.6° | 2.3° |
| C2 | N1 | C1 | H1 | 180.0° | 177.9° |
| C2 | N1 | C1 | H3 | 60.0° | 58.0° |
| C2 | N1 | C1 | H2 | 60.0° | 62.1° |
| N1 | C2 | N4 | H5 | 174.4° | 177.7° |
| C2 | N2 | N3 | O1 | 0.8° | 6.9° |
| C2 | N2 | N3 | O2 | 179.4° | 173.2° |
| N2 | C2 | N4 | C3 | 165.4° | 177.7° |
| N2 | C2 | N1 | H4 | 7.5° | 9.2° |
| N2 | C2 | N4 | H5 | 14.6° | 2.2° |
| N2 | N3 | O1 | O2 | 179.8° | 179.9° |
| N3 | N2 | C2 | N4 | 167.7° | 160.6° |
| C2 | N4 | C3 | H5 | 180.0° | 179.9° |
| C2 | N4 | C3 | C4 | 120.8° | 174.1° |
| N4 | C2 | N1 | H4 | 163.0° | 170.8° |
| C2 | N4 | C3 | H7 | 1.1° | 54.1° |
| C2 | N4 | C3 | H6 | 119.6° | 65.9° |
| N4 | C3 | C4 | H7 | 119.6° | 120.0° |
| N4 | C3 | C4 | H6 | 119.6° | 120.0° |
| N4 | C3 | C4 | C5 | 99.7° | 175.0° |
| N4 | C3 | C4 | C7 | 143.5° | 72.3° |
| N4 | C3 | C4 | H8 | 21.5° | 51.4° |
| N4 | C3 | H7 | H6 | 121.1° | 120.0° |
| C3 | C4 | C5 | C7 | 126.7° | 118.2° |
| C3 | C4 | C5 | H8 | 121.2° | 123.6° |
| C3 | C4 | C5 | C6 | 167.3° | 139.1° |
| C3 | C4 | C7 | O3 | 164.7° | 155.2° |
| C3 | C4 | C7 | H8 | 122.1° | 123.6° |
| C3 | C4 | C5 | H10 | 48.6° | 20.4° |
| C3 | C4 | C5 | H9 | 73.9° | 102.3° |
| C3 | C4 | C7 | H14 | 45.3° | 86.3° |
| C3 | C4 | C7 | H13 | 76.0° | 36.5° |
| C4 | C3 | H7 | H6 | 121.1° | 120.0° |
| C4 | C3 | N4 | H5 | 59.2° | 5.8° |
| C4 | C5 | C6 | H10 | 118.8° | 118.7° |
| C4 | C5 | C6 | H9 | 118.8° | 118.7° |
| C4 | C5 | C6 | O3 | 29.7° | 2.1° |
| C5 | C4 | C7 | O3 | 38.8° | 37.0° |
| C5 | C4 | C7 | H8 | 112.0° | 118.2° |
| C4 | C5 | H10 | H9 | 123.5° | 122.6° |
| C4 | C5 | C6 | H12 | 149.3° | 117.4° |
| C4 | C5 | C6 | H11 | 90.0° | 121.5° |
| C5 | C4 | C7 | H14 | 80.6° | 155.5° |
| C5 | C4 | C7 | H13 | 158.1° | 81.7° |
| C5 | C4 | C3 | H7 | 140.7° | 55.0° |
| C5 | C4 | C3 | H6 | 19.9° | 65.0° |
| C5 | C6 | O3 | H12 | 119.6° | 119.5° |
| C5 | C6 | O3 | H11 | 119.6° | 119.4° |
| C5 | C6 | O3 | C7 | 5.2° | 26.6° |
| C6 | C5 | C4 | C7 | 40.7° | 20.9° |
| C6 | C5 | C4 | H8 | 71.4° | 97.3° |
| C6 | C5 | H10 | H9 | 123.5° | 122.6° |
| C5 | C6 | H12 | H11 | 121.1° | 121.0° |
| C6 | O3 | C7 | C4 | 21.9° | 40.1° |
| O3 | C6 | C5 | H10 | 89.1° | 120.7° |
| O3 | C6 | C5 | H9 | 148.4° | 116.6° |
| O3 | C6 | H12 | H11 | 121.0° | 121.1° |
| C6 | O3 | C7 | H14 | 97.4° | 158.5° |
| C6 | O3 | C7 | H13 | 141.3° | 78.5° |
| O3 | C7 | C4 | H14 | 119.3° | 118.5° |
| O3 | C7 | C4 | H13 | 119.3° | 118.7° |
| O3 | C7 | C4 | H8 | 73.3° | 81.2° |
| C7 | O3 | C6 | H12 | 124.8° | 92.9° |
| C7 | O3 | C6 | H11 | 114.5° | 146.0° |
| O3 | C7 | H14 | H13 | 121.9° | 123.1° |
| C7 | C4 | C5 | H10 | 78.1° | 97.8° |
| C7 | C4 | C5 | H9 | 159.5° | 139.5° |
| C4 | C7 | H14 | H13 | 122.0° | 122.8° |
| C7 | C4 | C3 | H7 | 23.9° | 167.7° |
| C7 | C4 | C3 | H6 | 96.9° | 47.7° |
| H8 | C4 | C5 | H10 | 169.8° | 144.1° |
| H8 | C4 | C5 | H9 | 47.4° | 21.4° |
| H8 | C4 | C7 | H14 | 167.4° | 37.3° |
| H8 | C4 | C7 | H13 | 46.0° | 160.2° |
| H8 | C4 | C3 | H7 | 98.2° | 68.6° |
| H8 | C4 | C3 | H6 | 141.1° | 171.4° |
| H10 | C5 | C6 | H12 | 30.5° | 1.3° |
| H10 | C5 | C6 | H11 | 151.2° | 119.8° |
| H9 | C5 | C6 | H12 | 91.9° | 123.9° |
| H9 | C5 | C6 | H11 | 28.8° | 2.8° |
| H4 | N1 | C1 | H1 | 0.1° | 2.0° |
| H4 | N1 | C1 | H3 | 120.0° | 121.9° |
| H4 | N1 | C1 | H2 | 120.0° | 118.0° |
| H7 | C3 | N4 | H5 | 178.8° | 125.8° |
| H6 | C3 | N4 | H5 | 60.4° | 114.1° |
| H1 | C1 | H3 | H2 | 120.0° | 120.0° |
