LM6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C2 | N1 | sing | 1.46Å | 1.46Å | |
| N1 | N2 | sing | 1.40Å | 1.36Å | Aromatic |
| N1 | C5 | sing | 1.35Å | 1.36Å | Aromatic |
| N2 | C3 | doub | 1.31Å | 1.33Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.49Å | |
| C6 | N3 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | doub | 1.35Å | 1.37Å | Aromatic |
| N3 | C7 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | sing | 1.40Å | 1.35Å | Aromatic |
| N3 | H1 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | 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 | |
| C3 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N1 | 112.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C1 | C2 | H12 | 108.7° | 109.4° |
| C1 | C2 | H13 | 108.7° | 109.5° |
| C2 | N1 | N2 | 120.4° | 126.0° |
| C2 | N1 | C5 | 129.0° | 126.1° |
| N1 | C2 | H12 | 108.7° | 109.5° |
| N1 | C2 | H13 | 108.7° | 109.5° |
| N2 | N1 | C5 | 110.6° | 107.9° |
| N1 | N2 | C3 | 105.2° | 108.2° |
| N1 | C5 | C6 | 122.7° | 126.1° |
| N1 | C5 | C4 | 105.8° | 107.8° |
| N2 | C3 | C4 | 111.3° | 108.2° |
| N2 | C3 | H14 | 124.3° | 125.9° |
| C5 | C6 | N3 | 114.2° | 109.5° |
| C6 | C5 | C4 | 131.4° | 126.1° |
| C5 | C6 | H4 | 108.3° | 109.5° |
| C5 | C6 | H5 | 108.3° | 109.4° |
| C6 | N3 | C7 | 113.8° | 111.0° |
| C6 | N3 | H1 | 108.3° | 111.0° |
| N3 | C6 | H4 | 108.3° | 109.5° |
| N3 | C6 | H5 | 108.3° | 109.4° |
| C5 | C4 | C3 | 107.1° | 107.9° |
| C5 | C4 | H3 | 126.4° | 126.1° |
| C7 | N3 | H1 | 108.4° | 110.9° |
| N3 | C7 | H6 | 109.5° | 109.5° |
| N3 | C7 | H7 | 109.4° | 109.4° |
| N3 | C7 | H8 | 109.5° | 109.5° |
| C3 | C4 | H3 | 126.5° | 126.0° |
| C4 | C3 | H14 | 124.4° | 125.9° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H8 | 109.4° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.4° | 109.4° |
| H9 | C1 | H11 | 109.5° | 109.4° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N1 | H12 | 120.4° | 119.9° |
| C1 | C2 | N1 | H13 | 120.5° | 120.0° |
| C1 | C2 | N1 | N2 | 83.4° | 90.1° |
| C1 | C2 | N1 | C5 | 99.0° | 90.2° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.1° |
| C2 | C1 | H10 | H11 | 120.0° | 120.1° |
| C1 | C2 | H12 | H13 | 118.6° | 120.0° |
| C2 | N1 | N2 | C5 | 178.0° | 179.8° |
| C2 | N1 | N2 | C3 | 179.4° | 179.7° |
| C2 | N1 | C5 | C6 | 2.5° | 0.2° |
| C2 | N1 | C5 | C4 | 178.8° | 179.7° |
| N1 | C2 | C1 | H9 | 180.0° | 180.0° |
| N1 | C2 | C1 | H10 | 60.0° | 60.1° |
| N1 | C2 | C1 | H11 | 60.0° | 60.0° |
| N1 | C2 | H12 | H13 | 118.6° | 120.1° |
| N2 | N1 | C5 | C6 | 179.7° | 180.0° |
| N2 | N1 | C5 | C4 | 1.0° | 0.1° |
| N1 | N2 | C3 | C4 | 1.2° | 0.0° |
| N2 | N1 | C2 | H12 | 37.0° | 150.0° |
| N2 | N1 | C2 | H13 | 156.1° | 30.0° |
| N1 | N2 | C3 | H14 | 178.8° | 180.0° |
| C5 | N1 | N2 | C3 | 1.4° | 0.0° |
| N1 | C5 | C6 | C4 | 178.3° | 179.9° |
| N1 | C5 | C6 | N3 | 94.7° | 84.9° |
| N1 | C5 | C4 | C3 | 0.2° | 0.1° |
| N1 | C5 | C4 | H3 | 179.7° | 179.9° |
| N1 | C5 | C6 | H4 | 26.0° | 155.0° |
| N1 | C5 | C6 | H5 | 144.7° | 35.0° |
| C5 | N1 | C2 | H12 | 140.6° | 29.7° |
| C5 | N1 | C2 | H13 | 21.5° | 149.7° |
| N2 | C3 | C4 | C5 | 0.6° | 0.1° |
| N2 | C3 | C4 | H14 | 180.0° | 179.9° |
| N2 | C3 | C4 | H3 | 179.4° | 179.9° |
| C5 | C6 | N3 | H4 | 120.7° | 120.1° |
| C5 | C6 | N3 | H5 | 120.7° | 120.0° |
| C5 | C6 | N3 | C7 | 72.2° | 180.0° |
| C6 | C5 | C4 | C3 | 178.8° | 180.0° |
| C5 | C6 | N3 | H1 | 48.4° | 56.1° |
| C6 | C5 | C4 | H3 | 1.2° | 0.2° |
| C5 | C6 | H4 | H5 | 117.9° | 120.0° |
| N3 | C6 | C5 | C4 | 87.0° | 94.9° |
| C6 | N3 | C7 | H1 | 120.6° | 123.9° |
| N3 | C6 | H4 | H5 | 117.8° | 120.0° |
| C6 | N3 | C7 | H6 | 180.0° | 180.0° |
| C6 | N3 | C7 | H7 | 60.0° | 60.0° |
| C6 | N3 | C7 | H8 | 60.0° | 59.9° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | H4 | 152.3° | 25.1° |
| C4 | C5 | C6 | H5 | 33.6° | 145.1° |
| C5 | C4 | C3 | H14 | 179.4° | 180.0° |
| C7 | N3 | C6 | H4 | 167.1° | 59.9° |
| C7 | N3 | C6 | H5 | 48.5° | 60.0° |
| N3 | C7 | H6 | H7 | 120.0° | 119.9° |
| N3 | C7 | H6 | H8 | 120.0° | 120.0° |
| N3 | C7 | H7 | H8 | 120.0° | 119.9° |
| H1 | N3 | C6 | H4 | 72.2° | 64.0° |
| H1 | N3 | C6 | H5 | 169.1° | 176.0° |
| H1 | N3 | C7 | H6 | 59.4° | 56.0° |
| H1 | N3 | C7 | H7 | 179.4° | 176.0° |
| H1 | N3 | C7 | H8 | 60.6° | 64.0° |
| H3 | C4 | C3 | H14 | 0.6° | 0.1° |
| H6 | C7 | H7 | H8 | 120.0° | 120.1° |
| H9 | C1 | H10 | H11 | 120.0° | 119.9° |
| H9 | C1 | C2 | H12 | 59.5° | 60.1° |
| H9 | C1 | C2 | H13 | 59.6° | 59.9° |
| H10 | C1 | C2 | H12 | 60.4° | 180.0° |
| H10 | C1 | C2 | H13 | 179.5° | 60.0° |
| H11 | C1 | C2 | H12 | 179.6° | 60.0° |
| H11 | C1 | C2 | H13 | 60.5° | 180.0° |
