SLV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| O | C7 | doub | 1.21Å | 1.20Å | |
| C7 | N | sing | 1.35Å | 1.42Å | |
| N | C6 | sing | 1.40Å | 1.44Å | |
| C6 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | O1 | sing | 1.36Å | 1.35Å | |
| C10 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | O | 119.3° | 120.0° |
| C8 | C7 | N | 116.1° | 120.0° |
| C7 | C8 | H3 | 109.5° | 109.5° |
| C7 | C8 | H4 | 109.4° | 109.5° |
| C7 | C8 | H5 | 109.4° | 109.5° |
| O | C7 | N | 124.7° | 120.0° |
| C7 | N | C6 | 129.2° | 120.0° |
| C7 | N | H6 | 115.4° | 120.0° |
| N | C6 | C9 | 123.4° | 120.1° |
| N | C6 | C5 | 117.9° | 120.0° |
| C6 | N | H6 | 115.4° | 120.0° |
| C9 | C6 | C5 | 118.7° | 119.9° |
| C6 | C9 | C10 | 119.5° | 119.9° |
| C6 | C9 | H14 | 120.2° | 120.0° |
| C6 | C5 | C4 | 120.8° | 120.0° |
| C6 | C5 | H2 | 119.6° | 120.0° |
| C9 | C10 | O1 | 120.4° | 120.0° |
| C9 | C10 | C3 | 123.3° | 120.0° |
| C10 | C9 | H14 | 120.3° | 120.1° |
| O1 | C10 | C3 | 116.3° | 120.0° |
| C10 | O1 | H15 | 109.5° | 114.0° |
| C10 | C3 | C4 | 116.8° | 120.1° |
| C10 | C3 | C2 | 121.1° | 120.0° |
| C5 | C4 | C3 | 121.0° | 120.2° |
| C5 | C4 | H1 | 119.5° | 119.9° |
| C4 | C5 | H2 | 119.6° | 120.0° |
| C | C1 | C2 | 111.4° | 109.4° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.4° |
| C1 | C | H9 | 109.5° | 109.5° |
| C | C1 | H10 | 109.0° | 109.5° |
| C | C1 | H11 | 109.0° | 109.5° |
| C1 | C2 | C3 | 109.4° | 109.4° |
| C2 | C1 | H10 | 109.0° | 109.4° |
| C2 | C1 | H11 | 109.0° | 109.5° |
| C1 | C2 | H12 | 109.5° | 109.4° |
| C1 | C2 | H13 | 109.5° | 109.5° |
| C4 | C3 | C2 | 122.1° | 119.9° |
| C3 | C4 | H1 | 119.5° | 119.9° |
| C3 | C2 | H12 | 109.5° | 109.5° |
| C3 | C2 | H13 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H3 | C8 | H5 | 109.5° | 109.4° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.5° |
| H7 | C | H9 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | O | N | 179.2° | 180.0° |
| C8 | C7 | N | C6 | 179.3° | 174.7° |
| C7 | C8 | H3 | H4 | 120.0° | 120.0° |
| C7 | C8 | H3 | H5 | 120.0° | 120.0° |
| C7 | C8 | H4 | H5 | 120.0° | 120.0° |
| C8 | C7 | N | H6 | 0.7° | 5.3° |
| O | C7 | N | C6 | 1.5° | 5.3° |
| O | C7 | C8 | H3 | 0.0° | 180.0° |
| O | C7 | C8 | H4 | 120.0° | 60.0° |
| O | C7 | C8 | H5 | 120.0° | 60.0° |
| O | C7 | N | H6 | 178.6° | 174.7° |
| C7 | N | C6 | H6 | 180.0° | 180.0° |
| C7 | N | C6 | C9 | 7.7° | 33.3° |
| C7 | N | C6 | C5 | 174.0° | 146.7° |
| N | C7 | C8 | H3 | 179.3° | 0.0° |
| N | C7 | C8 | H4 | 59.3° | 120.0° |
| N | C7 | C8 | H5 | 60.7° | 120.0° |
| N | C6 | C9 | C5 | 178.3° | 179.9° |
| N | C6 | C9 | C10 | 177.4° | 179.7° |
| N | C6 | C5 | C4 | 177.5° | 180.0° |
| N | C6 | C5 | H2 | 2.5° | 0.1° |
| N | C6 | C9 | H14 | 2.6° | 0.1° |
| C6 | C9 | C10 | H14 | 180.0° | 179.8° |
| C6 | C9 | C10 | O1 | 179.9° | 179.7° |
| C6 | C9 | C10 | C3 | 0.0° | 0.3° |
| C9 | C6 | C5 | C4 | 0.9° | 0.1° |
| C9 | C6 | C5 | H2 | 179.1° | 180.0° |
| C9 | C6 | N | H6 | 172.3° | 146.6° |
| C5 | C6 | C9 | C10 | 0.8° | 0.2° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.0° | 0.4° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C5 | C6 | N | H6 | 6.0° | 33.3° |
| C5 | C6 | C9 | H14 | 179.2° | 180.0° |
| C9 | C10 | O1 | C3 | 179.9° | 180.0° |
| C9 | C10 | C3 | C4 | 0.8° | 0.0° |
| C9 | C10 | C3 | C2 | 177.5° | 180.0° |
| C9 | C10 | O1 | H15 | 180.0° | 90.0° |
| O1 | C10 | C3 | C4 | 179.0° | 180.0° |
| O1 | C10 | C3 | C2 | 2.6° | 0.0° |
| O1 | C10 | C9 | H14 | 0.1° | 0.1° |
| C10 | C3 | C4 | C5 | 0.8° | 0.3° |
| C10 | C3 | C2 | C1 | 79.5° | 85.0° |
| C10 | C3 | C4 | C2 | 178.3° | 180.0° |
| C10 | C3 | C4 | H1 | 179.2° | 180.0° |
| C10 | C3 | C2 | H12 | 40.5° | 34.9° |
| C10 | C3 | C2 | H13 | 160.5° | 155.0° |
| C3 | C10 | C9 | H14 | 180.0° | 179.9° |
| C3 | C10 | O1 | H15 | 0.1° | 90.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.6° |
| C5 | C4 | C3 | C2 | 177.5° | 179.7° |
| C | C1 | C2 | H10 | 120.3° | 120.0° |
| C | C1 | C2 | H11 | 120.3° | 120.0° |
| C | C1 | C2 | C3 | 177.8° | 180.0° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C | C1 | H10 | H11 | 119.1° | 120.1° |
| C | C1 | C2 | H12 | 57.8° | 60.0° |
| C | C1 | C2 | H13 | 62.2° | 60.0° |
| C1 | C2 | C3 | C4 | 98.7° | 95.0° |
| C1 | C2 | C3 | H12 | 120.0° | 119.9° |
| C1 | C2 | C3 | H13 | 120.0° | 120.0° |
| C2 | C1 | C | H7 | 180.0° | 60.1° |
| C2 | C1 | C | H8 | 60.0° | 180.0° |
| C2 | C1 | C | H9 | 60.0° | 60.0° |
| C2 | C1 | H10 | H11 | 119.1° | 120.0° |
| C1 | C2 | H12 | H13 | 120.0° | 120.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.8° |
| C4 | C3 | C2 | H12 | 141.3° | 145.0° |
| C4 | C3 | C2 | H13 | 21.3° | 25.0° |
| C2 | C3 | C4 | H1 | 2.5° | 0.0° |
| C3 | C2 | C1 | H10 | 61.9° | 60.0° |
| C3 | C2 | C1 | H11 | 57.5° | 59.9° |
| C3 | C2 | H12 | H13 | 120.0° | 120.1° |
| H1 | C4 | C5 | H2 | 0.0° | 0.1° |
| H3 | C8 | H4 | H5 | 120.0° | 120.0° |
| H7 | C | H8 | H9 | 120.0° | 120.0° |
| H7 | C | C1 | H10 | 59.7° | 180.0° |
| H7 | C | C1 | H11 | 59.7° | 60.0° |
| H8 | C | C1 | H10 | 60.3° | 60.0° |
| H8 | C | C1 | H11 | 179.7° | 60.0° |
| H9 | C | C1 | H10 | 179.7° | 60.0° |
| H9 | C | C1 | H11 | 60.3° | 180.0° |
| H10 | C1 | C2 | H12 | 178.1° | NaN° |
| H10 | C1 | C2 | H13 | 58.1° | 60.0° |
| H11 | C1 | C2 | H12 | 62.5° | 60.0° |
| H11 | C1 | C2 | H13 | 177.5° | 180.0° |
