LUM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.37Å | Aromatic |
| N1 | C10 | sing | 1.39Å | 1.33Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | O2 | doub | 1.22Å | 1.20Å | |
| C2 | N3 | sing | 1.34Å | 1.43Å | Aromatic |
| C10 | C4A | doub | 1.42Å | 1.49Å | Aromatic |
| C10 | N10 | sing | 1.32Å | 1.41Å | Aromatic |
| N3 | C4 | sing | 1.35Å | 1.36Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.24Å | |
| C4 | C4A | sing | 1.48Å | 1.47Å | Aromatic |
| C4A | N5 | sing | 1.32Å | 1.32Å | Aromatic |
| N5 | C5A | doub | 1.33Å | 1.37Å | Aromatic |
| C5A | C6 | sing | 1.41Å | 1.46Å | Aromatic |
| C5A | C9A | sing | 1.46Å | 1.46Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.36Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C9A | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C9A | N10 | doub | 1.34Å | 1.44Å | Aromatic |
| C7 | C7M | sing | 1.51Å | 1.54Å | |
| C7 | C8 | sing | 1.39Å | 1.48Å | Aromatic |
| C7M | H7M1 | sing | 1.09Å | 1.12Å | |
| C7M | H7M2 | sing | 1.09Å | 1.11Å | |
| C7M | H7M3 | sing | 1.09Å | 1.12Å | |
| C8 | C8M | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.36Å | 1.40Å | Aromatic |
| C8M | H8M1 | sing | 1.09Å | 1.12Å | |
| C8M | H8M2 | sing | 1.09Å | 1.11Å | |
| C8M | H8M3 | sing | 1.09Å | 1.11Å | |
| C9 | HC9 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C10 | 121.6° | 121.0° |
| C2 | N1 | HN1 | 107.9° | 119.5° |
| N1 | C2 | O2 | 122.8° | 118.6° |
| N1 | C2 | N3 | 118.5° | 123.0° |
| C10 | N1 | HN1 | 107.9° | 119.5° |
| N1 | C10 | C4A | 121.8° | 118.5° |
| N1 | C10 | N10 | 120.7° | 120.6° |
| O2 | C2 | N3 | 118.6° | 118.5° |
| C2 | N3 | C4 | 124.8° | 121.3° |
| C2 | N3 | HN3 | 120.5° | 119.3° |
| C4A | C10 | N10 | 117.5° | 120.8° |
| C10 | C4A | C4 | 116.7° | 117.9° |
| C10 | C4A | N5 | 122.3° | 121.3° |
| C10 | N10 | C9A | 121.0° | 119.5° |
| C4 | N3 | HN3 | 114.7° | 119.4° |
| N3 | C4 | O4 | 120.0° | 120.8° |
| N3 | C4 | C4A | 116.5° | 118.3° |
| O4 | C4 | C4A | 123.6° | 120.9° |
| C4 | C4A | N5 | 121.0° | 120.8° |
| C4A | N5 | C5A | 119.6° | 119.4° |
| N5 | C5A | C6 | 119.6° | 121.7° |
| N5 | C5A | C9A | 124.2° | 119.5° |
| C6 | C5A | C9A | 116.2° | 118.8° |
| C5A | C6 | C7 | 124.1° | 119.5° |
| C5A | C6 | HC6 | 121.8° | 120.2° |
| C5A | C9A | C9 | 119.2° | 118.9° |
| C5A | C9A | N10 | 115.4° | 119.5° |
| C7 | C6 | HC6 | 114.1° | 120.2° |
| C6 | C7 | C7M | 122.8° | 119.2° |
| C6 | C7 | C8 | 119.3° | 121.6° |
| C9 | C9A | N10 | 125.3° | 121.6° |
| C9A | C9 | C8 | 123.4° | 119.5° |
| C9A | C9 | HC9 | 118.7° | 120.3° |
| C7M | C7 | C8 | 117.8° | 119.2° |
| C7 | C7M | H7M1 | 122.8° | 109.5° |
| C7 | C7M | H7M2 | 107.5° | 109.4° |
| C7 | C7M | H7M3 | 107.5° | 109.5° |
| C7 | C8 | C8M | 121.4° | 119.2° |
| C7 | C8 | C9 | 117.7° | 121.7° |
| H7M1 | C7M | H7M2 | 107.4° | 109.4° |
| H7M1 | C7M | H7M3 | 107.4° | 109.4° |
| H7M2 | C7M | H7M3 | 102.4° | 109.6° |
| C8M | C8 | C9 | 120.8° | 119.1° |
| C8 | C8M | H8M1 | 121.4° | 109.5° |
| C8 | C8M | H8M2 | 108.0° | 109.5° |
| C8 | C8M | H8M3 | 108.0° | 109.5° |
| C8 | C9 | HC9 | 117.8° | 120.2° |
| H8M1 | C8M | H8M2 | 108.0° | 109.4° |
| H8M1 | C8M | H8M3 | 107.9° | 109.4° |
| H8M2 | C8M | H8M3 | 101.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C10 | HN1 | 125.3° | 180.0° |
| N1 | C2 | O2 | N3 | 176.7° | 179.9° |
| C2 | N1 | C10 | C4A | 1.3° | 0.0° |
| C2 | N1 | C10 | N10 | 178.1° | 180.0° |
| N1 | C2 | N3 | C4 | 4.2° | 0.0° |
| N1 | C2 | N3 | HN3 | 175.8° | 180.0° |
| C10 | N1 | C2 | O2 | 179.7° | 179.9° |
| C10 | N1 | C2 | N3 | 3.5° | 0.0° |
| N1 | C10 | C4A | N10 | 179.4° | 180.0° |
| N1 | C10 | C4A | C4 | 0.6° | 0.0° |
| N1 | C10 | C4A | N5 | 180.0° | 179.9° |
| N1 | C10 | N10 | C9A | 178.9° | 180.0° |
| HN1 | N1 | C2 | O2 | 55.0° | 0.1° |
| HN1 | N1 | C2 | N3 | 121.7° | 180.0° |
| HN1 | N1 | C10 | C4A | 124.0° | 180.0° |
| HN1 | N1 | C10 | N10 | 56.7° | 0.0° |
| O2 | C2 | N3 | C4 | 178.9° | 179.9° |
| O2 | C2 | N3 | HN3 | 1.1° | 0.1° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 177.1° | 179.9° |
| C2 | N3 | C4 | C4A | 2.3° | 0.0° |
| C10 | C4A | C4 | N3 | 0.0° | 0.0° |
| C10 | C4A | C4 | O4 | 179.4° | 179.9° |
| C10 | C4A | C4 | N5 | 179.4° | 179.9° |
| C10 | C4A | N5 | C5A | 1.4° | 0.1° |
| C4A | C10 | N10 | C9A | 0.5° | 0.0° |
| N10 | C10 | C4A | C4 | 180.0° | 180.0° |
| N10 | C10 | C4A | N5 | 0.6° | 0.1° |
| C10 | N10 | C9A | C5A | 0.8° | 0.0° |
| C10 | N10 | C9A | C9 | 179.1° | 180.0° |
| N3 | C4 | O4 | C4A | 179.4° | 179.9° |
| N3 | C4 | C4A | N5 | 179.5° | 179.9° |
| HN3 | N3 | C4 | O4 | 2.9° | 0.1° |
| HN3 | N3 | C4 | C4A | 177.7° | 180.0° |
| O4 | C4 | C4A | N5 | 1.1° | 0.0° |
| C4 | C4A | N5 | C5A | 179.2° | 180.0° |
| C4A | N5 | C5A | C6 | 178.8° | 180.0° |
| C4A | N5 | C5A | C9A | 1.1° | 0.0° |
| N5 | C5A | C6 | C9A | 179.9° | 180.0° |
| N5 | C5A | C6 | C7 | 179.9° | 179.8° |
| N5 | C5A | C6 | HC6 | 0.1° | 0.1° |
| N5 | C5A | C9A | C9 | 179.9° | 180.0° |
| N5 | C5A | C9A | N10 | 0.0° | 0.0° |
| C5A | C6 | C7 | HC6 | 180.0° | 179.9° |
| C6 | C5A | C9A | C9 | 0.0° | 0.0° |
| C6 | C5A | C9A | N10 | 179.9° | 180.0° |
| C5A | C6 | C7 | C7M | 179.7° | 180.0° |
| C5A | C6 | C7 | C8 | 1.5° | 0.4° |
| C9A | C5A | C6 | C7 | 0.0° | 0.2° |
| C9A | C5A | C6 | HC6 | 180.0° | 179.9° |
| C5A | C9A | C9 | N10 | 179.9° | 179.9° |
| C5A | C9A | C9 | C8 | 1.6° | 0.0° |
| C5A | C9A | C9 | HC9 | 178.4° | 180.0° |
| C6 | C7 | C7M | C8 | 178.8° | 179.6° |
| C6 | C7 | C7M | H7M1 | 180.0° | 89.9° |
| C6 | C7 | C7M | H7M2 | 54.8° | 150.2° |
| C6 | C7 | C7M | H7M3 | 54.8° | 30.0° |
| C6 | C7 | C8 | C8M | 178.9° | 179.8° |
| C6 | C7 | C8 | C9 | 3.0° | 0.4° |
| HC6 | C6 | C7 | C7M | 0.3° | 0.1° |
| HC6 | C6 | C7 | C8 | 178.5° | 179.7° |
| C9A | C9 | C8 | C7 | 3.1° | 0.2° |
| C9A | C9 | C8 | C8M | 179.0° | 180.0° |
| C9A | C9 | C8 | HC9 | 180.0° | 180.0° |
| N10 | C9A | C9 | C8 | 178.3° | 179.9° |
| N10 | C9A | C9 | HC9 | 1.7° | 0.1° |
| C7 | C7M | H7M1 | H7M2 | 125.3° | 119.9° |
| C7 | C7M | H7M1 | H7M3 | 125.2° | 120.0° |
| C7 | C7M | H7M2 | H7M3 | 113.0° | 120.1° |
| C7M | C7 | C8 | C8M | 2.3° | 0.2° |
| C7M | C7 | C8 | C9 | 178.2° | 180.0° |
| C8 | C7 | C7M | H7M1 | 1.2° | 90.5° |
| C8 | C7 | C7M | H7M2 | 126.4° | 29.4° |
| C8 | C7 | C7M | H7M3 | 124.0° | 149.6° |
| C7 | C8 | C8M | C9 | 175.8° | 179.8° |
| C7 | C8 | C8M | H8M1 | 180.0° | 90.2° |
| C7 | C8 | C8M | H8M2 | 54.7° | 29.7° |
| C7 | C8 | C8M | H8M3 | 54.8° | 149.8° |
| C7 | C8 | C9 | HC9 | 177.0° | 179.8° |
| H7M1 | C7M | H7M2 | H7M3 | 113.0° | 120.0° |
| C8 | C8M | H8M1 | H8M2 | 125.3° | 120.0° |
| C8 | C8M | H8M1 | H8M3 | 125.2° | 120.1° |
| C8 | C8M | H8M2 | H8M3 | 113.6° | 120.2° |
| C8M | C8 | C9 | HC9 | 1.0° | 0.0° |
| C9 | C8 | C8M | H8M1 | 4.2° | 90.0° |
| C9 | C8 | C8M | H8M2 | 121.1° | 150.1° |
| C9 | C8 | C8M | H8M3 | 129.4° | 29.9° |
| H8M1 | C8M | H8M2 | H8M3 | 113.5° | 119.9° |
