SLC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C9 | sing | 1.34Å | 1.25Å | |
| C9 | O3 | doub | 1.21Å | 1.24Å | |
| C9 | C8 | sing | 1.51Å | 1.35Å | |
| C8 | C7 | sing | 1.54Å | 1.49Å | |
| C8 | N | sing | 1.47Å | 1.33Å | |
| C7 | C6 | sing | 1.55Å | 1.53Å | |
| C6 | C5 | sing | 1.55Å | 1.53Å | |
| C5 | N | sing | 1.47Å | 1.46Å | |
| N | C4 | sing | 1.35Å | 1.35Å | |
| C4 | O1 | doub | 1.22Å | 1.21Å | |
| C4 | C2 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | doub | 1.33Å | 1.31Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | SE | sing | 1.96Å | 1.96Å | |
| SE | HSE | sing | 1.56Å | 1.46Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.08Å | 1.08Å | |
| C3 | H32C | sing | 1.08Å | 1.08Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C9 | O3 | 117.5° | 120.1° |
| O2 | C9 | C8 | 122.2° | 120.0° |
| C9 | O2 | H2 | 109.5° | 117.0° |
| O3 | C9 | C8 | 120.2° | 120.0° |
| C9 | C8 | C7 | 126.0° | 109.9° |
| C9 | C8 | N | 126.0° | 109.9° |
| C9 | C8 | H8 | 38.9° | 109.9° |
| C7 | C8 | N | 107.4° | 107.2° |
| C8 | C7 | C6 | 99.4° | 103.0° |
| C8 | C7 | H71C | 113.0° | 110.7° |
| C8 | C7 | H72C | 113.0° | 110.7° |
| C7 | C8 | H8 | 120.0° | 109.9° |
| C8 | N | C5 | 110.8° | 108.7° |
| C8 | N | C4 | 121.3° | 125.6° |
| N | C8 | H8 | 120.2° | 110.0° |
| C7 | C6 | C5 | 107.6° | 101.6° |
| C6 | C7 | H71C | 113.0° | 110.8° |
| C6 | C7 | H72C | 113.0° | 110.7° |
| C7 | C6 | H61C | 110.1° | 111.0° |
| C7 | C6 | H62C | 110.1° | 111.0° |
| C6 | C5 | N | 100.9° | 104.8° |
| C5 | C6 | H61C | 110.1° | 111.0° |
| C5 | C6 | H62C | 110.1° | 111.0° |
| C6 | C5 | H51C | 112.5° | 110.4° |
| C6 | C5 | H52C | 112.4° | 110.4° |
| C5 | N | C4 | 127.9° | 125.6° |
| N | C5 | H51C | 112.5° | 110.4° |
| N | C5 | H52C | 112.5° | 110.4° |
| N | C4 | O1 | 122.8° | 120.0° |
| N | C4 | C2 | 121.9° | 120.0° |
| O1 | C4 | C2 | 115.2° | 120.0° |
| C4 | C2 | C3 | 121.7° | 120.0° |
| C4 | C2 | C1 | 119.9° | 120.0° |
| C3 | C2 | C1 | 118.3° | 120.0° |
| C2 | C3 | H31C | 120.0° | 120.0° |
| C2 | C3 | H32C | 120.0° | 120.0° |
| C2 | C1 | SE | 107.5° | 109.5° |
| C2 | C1 | H11C | 110.1° | 109.5° |
| C2 | C1 | H12C | 110.1° | 109.4° |
| C1 | SE | HSE | 109.5° | 101.0° |
| SE | C1 | H11C | 110.1° | 109.5° |
| SE | C1 | H12C | 110.1° | 109.5° |
| H71C | C7 | H72C | 105.8° | 110.8° |
| H61C | C6 | H62C | 108.8° | 110.9° |
| H51C | C5 | H52C | 106.3° | 110.4° |
| H31C | C3 | H32C | 120.0° | 120.0° |
| H11C | C1 | H12C | 108.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C9 | O3 | C8 | 176.9° | 180.0° |
| O2 | C9 | C8 | C7 | 8.0° | 61.5° |
| O2 | C9 | C8 | N | 178.0° | 179.2° |
| O2 | C9 | C8 | H8 | 86.9° | 59.6° |
| O3 | C9 | C8 | C7 | 175.3° | 118.6° |
| O3 | C9 | C8 | N | 5.3° | 0.8° |
| O3 | C9 | O2 | H2 | 0.0° | 0.0° |
| O3 | C9 | C8 | H8 | 89.8° | 120.4° |
| C9 | C8 | C7 | N | 171.5° | 119.4° |
| C9 | C8 | C7 | H8 | 46.3° | 121.1° |
| C9 | C8 | N | H8 | 46.4° | 121.1° |
| C9 | C8 | C7 | C6 | 136.0° | 141.6° |
| C9 | C8 | N | C5 | 132.9° | 118.3° |
| C9 | C8 | N | C4 | 49.0° | 61.6° |
| C8 | C9 | O2 | H2 | 176.8° | 179.9° |
| C9 | C8 | C7 | H71C | 16.0° | 23.2° |
| C9 | C8 | C7 | H72C | 104.0° | 100.1° |
| C7 | C8 | N | H8 | 142.1° | 119.5° |
| C8 | C7 | C6 | H71C | 120.0° | 118.4° |
| C8 | C7 | C6 | H72C | 120.0° | 118.3° |
| C8 | C7 | C6 | C5 | 20.7° | 35.5° |
| C7 | C8 | N | C5 | 38.6° | 1.1° |
| C7 | C8 | N | C4 | 139.5° | 179.0° |
| C8 | C7 | H71C | H72C | 124.1° | 123.2° |
| C8 | C7 | C6 | H61C | 99.3° | 153.6° |
| C8 | C7 | C6 | H62C | 140.7° | 82.5° |
| N | C8 | C7 | C6 | 35.5° | 22.2° |
| C8 | N | C5 | C6 | 22.6° | 24.2° |
| C8 | N | C5 | C4 | 178.0° | 179.9° |
| C8 | N | C4 | O1 | 0.7° | 6.1° |
| C8 | N | C4 | C2 | 178.3° | 174.0° |
| N | C8 | C7 | H71C | 155.5° | 96.2° |
| N | C8 | C7 | H72C | 84.4° | 140.6° |
| C8 | N | C5 | H51C | 97.4° | 94.7° |
| C8 | N | C5 | H52C | 142.6° | 143.0° |
| C7 | C6 | C5 | H61C | 120.0° | 118.1° |
| C7 | C6 | C5 | H62C | 120.0° | 118.1° |
| C7 | C6 | C5 | N | 1.1° | 37.0° |
| C6 | C7 | H71C | H72C | 124.0° | 123.3° |
| C7 | C6 | H61C | H62C | 120.8° | 124.0° |
| C7 | C6 | C5 | H51C | 121.1° | 81.8° |
| C7 | C6 | C5 | H52C | 118.9° | 155.9° |
| C6 | C7 | C8 | H8 | 177.7° | 97.3° |
| C6 | C5 | N | H51C | 120.0° | 118.9° |
| C6 | C5 | N | H52C | 120.0° | 118.8° |
| C6 | C5 | N | C4 | 155.3° | 155.9° |
| C5 | C6 | C7 | H71C | 140.7° | 82.8° |
| C5 | C6 | C7 | H72C | 99.3° | 153.8° |
| C5 | C6 | H61C | H62C | 120.7° | 123.9° |
| C6 | C5 | H51C | H52C | 123.5° | 122.3° |
| C5 | N | C4 | O1 | 178.5° | 174.0° |
| C5 | N | C4 | C2 | 3.9° | 5.9° |
| N | C5 | C6 | H61C | 118.9° | 155.1° |
| N | C5 | C6 | H62C | 121.1° | 81.0° |
| N | C5 | H51C | H52C | 123.5° | 122.3° |
| C5 | N | C8 | H8 | 179.3° | 120.6° |
| N | C4 | O1 | C2 | 177.7° | 179.9° |
| N | C4 | C2 | C3 | 17.9° | 174.1° |
| N | C4 | C2 | C1 | 165.2° | 5.9° |
| C4 | N | C5 | H51C | 84.6° | 85.2° |
| C4 | N | C5 | H52C | 35.3° | 37.1° |
| C4 | N | C8 | H8 | 2.6° | 59.5° |
| O1 | C4 | C2 | C3 | 159.9° | 6.0° |
| O1 | C4 | C2 | C1 | 17.0° | 174.0° |
| C4 | C2 | C3 | C1 | 176.9° | 180.0° |
| C4 | C2 | C1 | SE | 104.9° | 173.0° |
| C4 | C2 | C3 | H31C | 176.9° | 180.0° |
| C4 | C2 | C3 | H32C | 3.0° | 0.0° |
| C4 | C2 | C1 | H11C | 15.1° | 52.9° |
| C4 | C2 | C1 | H12C | 135.1° | 67.0° |
| C3 | C2 | C1 | SE | 78.1° | 7.0° |
| C2 | C3 | H31C | H32C | 180.0° | 180.0° |
| C3 | C2 | C1 | H11C | 161.9° | 127.1° |
| C3 | C2 | C1 | H12C | 41.9° | 113.0° |
| C2 | C1 | SE | H11C | 120.0° | 120.0° |
| C2 | C1 | SE | H12C | 120.0° | 120.0° |
| C2 | C1 | SE | HSE | 180.0° | 180.0° |
| C1 | C2 | C3 | H31C | 0.0° | 0.0° |
| C1 | C2 | C3 | H32C | 180.0° | 180.0° |
| C2 | C1 | H11C | H12C | 120.8° | 119.9° |
| SE | C1 | H11C | H12C | 120.8° | 120.1° |
| HSE | SE | C1 | H11C | 60.0° | 60.0° |
| HSE | SE | C1 | H12C | 60.0° | 60.0° |
| H71C | C7 | C6 | H61C | 20.7° | 35.2° |
| H71C | C7 | C6 | H62C | 99.3° | 159.1° |
| H71C | C7 | C8 | H8 | 62.3° | 144.2° |
| H72C | C7 | C6 | H61C | 140.7° | 88.1° |
| H72C | C7 | C6 | H62C | 20.7° | 35.8° |
| H72C | C7 | C8 | H8 | 57.7° | 21.0° |
| H61C | C6 | C5 | H51C | 1.1° | 36.2° |
| H61C | C6 | C5 | H52C | 121.1° | 86.1° |
| H62C | C6 | C5 | H51C | 118.9° | 160.1° |
| H62C | C6 | C5 | H52C | 1.1° | 37.8° |
