L5W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | N | sing | 1.42Å | 1.39Å | |
| N | C | sing | 1.35Å | 1.34Å | |
| O1 | C | doub | 1.21Å | 1.22Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C6 | sing | 1.56Å | 1.53Å | |
| C1 | C7 | sing | 1.59Å | 1.54Å | |
| C1 | C2 | sing | 1.56Å | 1.52Å | |
| C6 | C5 | sing | 1.55Å | 1.53Å | |
| C7 | C4 | sing | 1.57Å | 1.53Å | |
| C2 | C3 | sing | 1.57Å | 1.54Å | |
| C5 | C4 | sing | 1.56Å | 1.52Å | |
| C4 | C3 | sing | 1.56Å | 1.55Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| O | H9 | sing | 0.97Å | 0.95Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | N | C | 119.6° | 120.0° |
| O | N | H8 | 120.2° | 120.0° |
| N | O | H9 | 109.5° | 114.0° |
| N | C | O1 | 123.7° | 120.0° |
| N | C | C1 | 114.2° | 120.0° |
| C | N | H8 | 120.2° | 120.0° |
| O1 | C | C1 | 122.2° | 120.0° |
| C | C1 | C6 | 112.7° | 115.9° |
| C | C1 | C7 | 118.9° | 116.2° |
| C | C1 | C2 | 113.3° | 115.9° |
| C6 | C1 | C7 | 102.4° | 101.1° |
| C6 | C1 | C2 | 106.2° | 104.4° |
| C1 | C6 | C5 | 103.4° | 104.6° |
| C1 | C6 | H4 | 111.0° | 110.4° |
| C1 | C6 | H5 | 111.0° | 110.5° |
| C7 | C1 | C2 | 101.9° | 101.1° |
| C1 | C7 | C4 | 94.7° | 95.4° |
| C1 | C7 | H6 | 113.0° | 112.9° |
| C1 | C7 | H7 | 113.0° | 111.8° |
| C1 | C2 | C3 | 102.3° | 103.7° |
| C1 | C2 | H10 | 111.2° | 110.4° |
| C1 | C2 | H11 | 111.2° | 110.4° |
| C6 | C5 | C4 | 104.0° | 104.7° |
| C6 | C5 | H2 | 110.8° | 110.4° |
| C6 | C5 | H3 | 110.8° | 110.5° |
| C5 | C6 | H4 | 111.0° | 110.4° |
| C5 | C6 | H5 | 111.0° | 110.4° |
| C7 | C4 | C5 | 101.5° | 101.4° |
| C7 | C4 | C3 | 102.4° | 100.6° |
| C7 | C4 | H1 | 116.2° | 116.2° |
| C4 | C7 | H6 | 113.0° | 112.0° |
| C4 | C7 | H7 | 113.0° | 112.0° |
| C2 | C3 | C4 | 104.5° | 104.9° |
| C3 | C2 | H10 | 111.2° | 111.1° |
| C3 | C2 | H11 | 111.3° | 110.7° |
| C2 | C3 | H12 | 110.7° | 109.4° |
| C2 | C3 | H13 | 110.7° | 111.2° |
| C5 | C4 | C3 | 102.0° | 104.5° |
| C5 | C4 | H1 | 116.5° | 115.9° |
| C4 | C5 | H2 | 110.8° | 110.4° |
| C4 | C5 | H3 | 110.8° | 110.4° |
| C3 | C4 | H1 | 116.0° | 115.9° |
| C4 | C3 | H12 | 110.7° | 110.4° |
| C4 | C3 | H13 | 110.7° | 110.4° |
| H2 | C5 | H3 | 109.5° | 110.3° |
| H4 | C6 | H5 | 109.4° | 110.4° |
| H6 | C7 | H7 | 109.5° | 111.8° |
| H10 | C2 | H11 | 109.4° | 110.4° |
| H12 | C3 | H13 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | N | C | H8 | 180.0° | 179.9° |
| O | N | C | O1 | 3.9° | 0.0° |
| O | N | C | C1 | 177.2° | 180.0° |
| N | C | O1 | C1 | 178.8° | 180.0° |
| N | C | C1 | C6 | 4.6° | 61.0° |
| N | C | C1 | C7 | 115.2° | 179.5° |
| N | C | C1 | C2 | 125.2° | 62.0° |
| C | N | O | H9 | 1.8° | 180.0° |
| O1 | C | C1 | C6 | 174.3° | 119.0° |
| O1 | C | C1 | C7 | 65.9° | 0.5° |
| O1 | C | C1 | C2 | 53.7° | 118.0° |
| O1 | C | N | H8 | 176.1° | 180.0° |
| C | C1 | C6 | C7 | 128.9° | 126.5° |
| C | C1 | C6 | C2 | 124.6° | 128.8° |
| C | C1 | C7 | C2 | 125.3° | 126.4° |
| C | C1 | C6 | C5 | 161.2° | 160.0° |
| C | C1 | C7 | C4 | 178.1° | 179.3° |
| C | C1 | C2 | C3 | 169.6° | 160.3° |
| C | C1 | C6 | H4 | 79.7° | 41.3° |
| C | C1 | C6 | H5 | 42.2° | 81.1° |
| C | C1 | C7 | H6 | 60.6° | 64.0° |
| C | C1 | C7 | H7 | 64.4° | 63.0° |
| C1 | C | N | H8 | 2.8° | 0.1° |
| C | C1 | C2 | H10 | 50.7° | 41.3° |
| C | C1 | C2 | H11 | 71.6° | 81.1° |
| C6 | C1 | C7 | C2 | 109.8° | 107.3° |
| C1 | C6 | C5 | H4 | 119.1° | 118.7° |
| C1 | C6 | C5 | H5 | 119.0° | 118.9° |
| C6 | C1 | C7 | C4 | 53.2° | 53.0° |
| C6 | C1 | C2 | C3 | 66.2° | 70.9° |
| C1 | C6 | C5 | C4 | 2.4° | 0.0° |
| C1 | C6 | C5 | H2 | 121.6° | 118.8° |
| C1 | C6 | C5 | H3 | 116.7° | 118.9° |
| C1 | C6 | H4 | H5 | 122.8° | 122.5° |
| C6 | C1 | C7 | H6 | 64.3° | 169.6° |
| C6 | C1 | C7 | H7 | 170.7° | 63.3° |
| C6 | C1 | C2 | H10 | 174.9° | 170.1° |
| C6 | C1 | C2 | H11 | 52.6° | 47.7° |
| C7 | C1 | C6 | C5 | 32.3° | 33.5° |
| C1 | C7 | C4 | H6 | 117.5° | 117.4° |
| C1 | C7 | C4 | H7 | 117.5° | 116.1° |
| C7 | C1 | C2 | C3 | 40.6° | 33.8° |
| C1 | C7 | C4 | C5 | 54.6° | 53.1° |
| C1 | C7 | C4 | C3 | 50.6° | 54.2° |
| C1 | C7 | C4 | H1 | 178.0° | 179.7° |
| C7 | C1 | C6 | H4 | 151.3° | 85.2° |
| C7 | C1 | C6 | H5 | 86.8° | 152.3° |
| C1 | C7 | H6 | H7 | 126.9° | 127.1° |
| C7 | C1 | C2 | H10 | 78.2° | 85.2° |
| C7 | C1 | C2 | H11 | 159.5° | 152.4° |
| C2 | C1 | C6 | C5 | 74.2° | 71.1° |
| C2 | C1 | C7 | C4 | 56.6° | 54.3° |
| C1 | C2 | C3 | H10 | 118.9° | 118.5° |
| C1 | C2 | C3 | H11 | 118.9° | 118.4° |
| C1 | C2 | C3 | C4 | 7.8° | 0.5° |
| C2 | C1 | C6 | H4 | 44.8° | 170.2° |
| C2 | C1 | C6 | H5 | 166.8° | 47.7° |
| C2 | C1 | C7 | H6 | 174.1° | 62.3° |
| C2 | C1 | C7 | H7 | 60.9° | 170.6° |
| C1 | C2 | H10 | H11 | 123.3° | 122.4° |
| C1 | C2 | C3 | H12 | 127.0° | 118.9° |
| C1 | C2 | C3 | H13 | 111.4° | 118.9° |
| C6 | C5 | C4 | C7 | 36.3° | 34.0° |
| C6 | C5 | C4 | H2 | 119.1° | 118.8° |
| C6 | C5 | C4 | H3 | 119.1° | 118.9° |
| C6 | C5 | C4 | C3 | 69.3° | 70.2° |
| C6 | C5 | C4 | H1 | 163.5° | 160.8° |
| C6 | C5 | H2 | H3 | 122.5° | 122.4° |
| C5 | C6 | H4 | H5 | 122.8° | 122.3° |
| C7 | C4 | C3 | C2 | 27.6° | 34.9° |
| C7 | C4 | C5 | C3 | 105.5° | 104.3° |
| C7 | C4 | C5 | H1 | 127.2° | 126.8° |
| C7 | C4 | C3 | H1 | 127.6° | 126.3° |
| C7 | C4 | C5 | H2 | 155.4° | 84.8° |
| C7 | C4 | C5 | H3 | 82.9° | 152.9° |
| C4 | C7 | H6 | H7 | 127.0° | 126.6° |
| C7 | C4 | C3 | H12 | 91.7° | 152.6° |
| C7 | C4 | C3 | H13 | 146.7° | 85.0° |
| C2 | C3 | C4 | C5 | 77.3° | 70.0° |
| C2 | C3 | C4 | H12 | 119.2° | 117.7° |
| C2 | C3 | C4 | H13 | 119.2° | 119.9° |
| C2 | C3 | C4 | H1 | 155.1° | 161.1° |
| C3 | C2 | H10 | H11 | 123.3° | 123.2° |
| C2 | C3 | H12 | H13 | 122.3° | 122.7° |
| C5 | C4 | C3 | H1 | 127.6° | 128.9° |
| C4 | C5 | H2 | H3 | 122.5° | 122.3° |
| C4 | C5 | C6 | H4 | 116.6° | 118.8° |
| C4 | C5 | C6 | H5 | 121.5° | 118.9° |
| C5 | C4 | C7 | H6 | 62.9° | 170.5° |
| C5 | C4 | C7 | H7 | 172.0° | 63.0° |
| C5 | C4 | C3 | H12 | 163.5° | 47.7° |
| C5 | C4 | C3 | H13 | 41.9° | 170.2° |
| C3 | C4 | C5 | H2 | 49.9° | 170.9° |
| C3 | C4 | C5 | H3 | 171.6° | 48.7° |
| C3 | C4 | C7 | H6 | 168.1° | 63.2° |
| C3 | C4 | C7 | H7 | 66.9° | 170.3° |
| C4 | C3 | C2 | H10 | 111.1° | 119.0° |
| C4 | C3 | C2 | H11 | 126.6° | 118.0° |
| C4 | C3 | H12 | H13 | 122.3° | 122.4° |
| H1 | C4 | C5 | H2 | 77.4° | 42.0° |
| H1 | C4 | C5 | H3 | 44.4° | 80.2° |
| H1 | C4 | C7 | H6 | 64.5° | 62.9° |
| H1 | C4 | C7 | H7 | 60.6° | 63.6° |
| H1 | C4 | C3 | H12 | 35.9° | 81.2° |
| H1 | C4 | C3 | H13 | 85.7° | 41.3° |
| H2 | C5 | C6 | H4 | 2.5° | 0.1° |
| H2 | C5 | C6 | H5 | 119.4° | 122.3° |
| H3 | C5 | C6 | H4 | 124.2° | 122.4° |
| H3 | C5 | C6 | H5 | 2.3° | 0.0° |
| H8 | N | O | H9 | 178.2° | 0.0° |
| H10 | C2 | C3 | H12 | 8.2° | 122.6° |
| H10 | C2 | C3 | H13 | 129.7° | 0.4° |
| H11 | C2 | C3 | H12 | 114.1° | 0.4° |
| H11 | C2 | C3 | H13 | 7.5° | 122.7° |
