LVM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| N | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.41Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| O | C6 | doub | 1.21Å | 1.23Å | |
| N1 | C6 | sing | 1.35Å | 1.34Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C13 | C8 | sing | 1.54Å | 1.55Å | |
| C13 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.54Å | 1.55Å | |
| C11 | C10 | sing | 1.53Å | 1.49Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C12 | sing | 1.52Å | 1.49Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.08Å | 1.08Å | |
| C2 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N | C4 | 117.4° | 121.8° |
| N | C3 | C2 | 123.5° | 120.9° |
| N | C3 | H17 | 118.3° | 119.5° |
| N | C4 | C5 | 123.2° | 120.6° |
| N | C4 | H2 | 118.4° | 119.7° |
| C3 | C2 | C1 | 119.6° | 119.2° |
| C2 | C3 | H17 | 118.2° | 119.5° |
| C3 | C2 | H18 | 120.2° | 120.4° |
| C4 | C5 | C1 | 118.9° | 119.0° |
| C4 | C5 | N1 | 121.5° | 120.5° |
| C5 | C4 | H2 | 118.4° | 119.7° |
| C2 | C1 | C5 | 117.3° | 118.4° |
| C2 | C1 | C | 120.7° | 120.8° |
| C1 | C2 | H18 | 120.2° | 120.4° |
| C1 | C5 | N1 | 119.6° | 120.5° |
| C5 | C1 | C | 122.0° | 120.8° |
| C5 | N1 | C6 | 125.5° | 120.0° |
| C5 | N1 | H1 | 117.3° | 120.0° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C | H16 | 109.5° | 109.5° |
| O | C6 | N1 | 123.8° | 120.0° |
| O | C6 | C7 | 121.8° | 120.0° |
| N1 | C6 | C7 | 114.4° | 120.0° |
| C6 | N1 | H1 | 117.3° | 120.0° |
| C6 | C7 | C8 | 114.0° | 109.5° |
| C6 | C7 | H3 | 108.3° | 109.4° |
| C6 | C7 | H4 | 108.3° | 109.5° |
| C8 | C13 | C10 | 90.3° | 86.9° |
| C13 | C8 | C7 | 118.7° | 113.6° |
| C13 | C8 | C9 | 88.1° | 87.3° |
| C13 | C8 | H5 | 110.9° | 113.6° |
| C8 | C13 | H6 | 114.0° | 113.7° |
| C8 | C13 | H7 | 114.0° | 113.6° |
| C13 | C10 | C11 | 128.9° | 128.6° |
| C13 | C10 | C9 | 88.7° | 87.7° |
| C13 | C10 | C12 | 129.2° | 128.6° |
| C10 | C13 | H6 | 114.0° | 113.6° |
| C10 | C13 | H7 | 114.0° | 113.6° |
| C7 | C8 | C9 | 115.1° | 113.6° |
| C8 | C7 | H3 | 108.3° | 109.5° |
| C8 | C7 | H4 | 108.3° | 109.5° |
| C7 | C8 | H5 | 111.2° | 112.8° |
| C8 | C9 | C10 | 90.4° | 86.9° |
| C9 | C8 | H5 | 110.9° | 113.6° |
| C8 | C9 | H12 | 114.0° | 113.7° |
| C8 | C9 | H13 | 114.0° | 113.7° |
| C10 | C11 | C12 | 59.6° | 59.8° |
| C11 | C10 | C9 | 128.8° | 128.6° |
| C11 | C10 | C12 | 60.6° | 60.3° |
| C10 | C11 | H10 | 120.1° | 117.5° |
| C10 | C11 | H11 | 120.1° | 117.5° |
| C11 | C12 | C10 | 59.8° | 59.9° |
| C11 | C12 | H8 | 120.0° | 117.5° |
| C11 | C12 | H9 | 120.0° | 117.5° |
| C12 | C11 | H10 | 120.1° | 117.5° |
| C12 | C11 | H11 | 120.1° | 117.5° |
| C9 | C10 | C12 | 125.6° | 128.6° |
| C10 | C9 | H12 | 114.0° | 113.6° |
| C10 | C9 | H13 | 114.0° | 113.6° |
| C10 | C12 | H8 | 120.1° | 117.5° |
| C10 | C12 | H9 | 120.0° | 117.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 113.0° |
| H8 | C12 | H9 | 109.5° | 115.6° |
| H10 | C11 | H11 | 109.4° | 115.6° |
| H12 | C9 | H13 | 109.5° | 112.9° |
| H14 | C | H15 | 109.5° | 109.5° |
| H14 | C | H16 | 109.4° | 109.5° |
| H15 | C | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C3 | C2 | H17 | 180.0° | 179.4° |
| C3 | N | C4 | C5 | 0.4° | 0.1° |
| N | C3 | C2 | C1 | 0.4° | 0.8° |
| C3 | N | C4 | H2 | 179.6° | 179.7° |
| N | C3 | C2 | H18 | 179.6° | 180.0° |
| C4 | N | C3 | C2 | 0.6° | 0.6° |
| N | C4 | C5 | H2 | 180.0° | 179.8° |
| N | C4 | C5 | C1 | 0.1° | 0.2° |
| N | C4 | C5 | N1 | 177.7° | 179.8° |
| C4 | N | C3 | H17 | 179.5° | 180.0° |
| C3 | C2 | C1 | H18 | 180.0° | 179.2° |
| C3 | C2 | C1 | C5 | 0.1° | 0.6° |
| C3 | C2 | C1 | C | 178.8° | 179.5° |
| C4 | C5 | C1 | C2 | 0.1° | 0.1° |
| C4 | C5 | C1 | N1 | 177.8° | 180.0° |
| C4 | C5 | C1 | C | 178.6° | 180.0° |
| C4 | C5 | N1 | C6 | 75.9° | 24.8° |
| C4 | C5 | N1 | H1 | 104.1° | 154.9° |
| C2 | C1 | C5 | C | 178.7° | 180.0° |
| C2 | C1 | C5 | N1 | 177.8° | 180.0° |
| C2 | C1 | C | H14 | 90.6° | 90.0° |
| C2 | C1 | C | H15 | 149.3° | 30.0° |
| C2 | C1 | C | H16 | 29.3° | 150.0° |
| C1 | C2 | C3 | H17 | 179.6° | 179.8° |
| C1 | C5 | N1 | C6 | 101.8° | 155.2° |
| C1 | C5 | N1 | H1 | 78.2° | 25.0° |
| C1 | C5 | C4 | H2 | 179.9° | 179.9° |
| C5 | C1 | C | H14 | 90.7° | 90.0° |
| C5 | C1 | C | H15 | 29.3° | 150.0° |
| C5 | C1 | C | H16 | 149.3° | 30.0° |
| C5 | C1 | C2 | H18 | 179.9° | 179.8° |
| N1 | C5 | C1 | C | 0.9° | 0.0° |
| C5 | N1 | C6 | O | 6.9° | 5.6° |
| C5 | N1 | C6 | H1 | 180.0° | 179.7° |
| C5 | N1 | C6 | C7 | 170.0° | 174.4° |
| N1 | C5 | C4 | H2 | 2.4° | 0.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| C | C1 | C2 | H18 | 1.2° | 0.3° |
| O | C6 | N1 | C7 | 176.9° | 180.0° |
| O | C6 | C7 | C8 | 65.1° | 0.0° |
| O | C6 | N1 | H1 | 173.1° | 174.7° |
| O | C6 | C7 | H3 | 55.6° | 120.0° |
| O | C6 | C7 | H4 | 174.3° | 120.0° |
| N1 | C6 | C7 | C8 | 117.9° | 180.0° |
| N1 | C6 | C7 | H3 | 121.4° | 60.0° |
| N1 | C6 | C7 | H4 | 2.8° | 60.0° |
| C6 | C7 | C8 | C13 | 65.4° | 87.3° |
| C6 | C7 | C8 | H3 | 120.7° | 120.0° |
| C6 | C7 | C8 | H4 | 120.7° | 120.0° |
| C6 | C7 | C8 | C9 | 167.9° | 175.0° |
| C7 | C6 | N1 | H1 | 10.0° | 5.4° |
| C6 | C7 | H3 | H4 | 117.9° | 120.0° |
| C6 | C7 | C8 | H5 | 65.0° | 43.9° |
| C8 | C13 | C10 | H6 | 116.6° | 114.5° |
| C8 | C13 | C10 | H7 | 116.7° | 114.5° |
| C13 | C8 | C7 | C9 | 102.5° | 97.7° |
| C13 | C8 | C7 | H5 | 130.4° | 131.2° |
| C13 | C8 | C9 | H5 | 111.7° | 114.7° |
| C8 | C13 | C10 | C11 | 130.1° | 114.9° |
| C8 | C13 | C10 | C9 | 11.9° | 25.1° |
| C8 | C13 | C10 | C12 | 148.9° | 165.1° |
| C13 | C8 | C7 | H3 | 55.3° | 32.7° |
| C13 | C8 | C7 | H4 | 173.9° | 152.7° |
| C8 | C13 | H6 | H7 | 129.1° | 131.4° |
| C13 | C8 | C9 | H12 | 104.8° | 89.5° |
| C13 | C8 | C9 | H13 | 128.4° | 139.5° |
| C10 | C13 | C8 | C7 | 129.6° | 139.6° |
| C13 | C10 | C11 | C9 | 127.7° | 124.8° |
| C13 | C10 | C11 | C12 | 118.5° | 117.6° |
| C13 | C10 | C9 | C12 | 139.5° | 140.0° |
| C10 | C13 | C8 | H5 | 99.8° | 89.6° |
| C10 | C13 | H6 | H7 | 129.1° | 131.3° |
| C13 | C10 | C12 | H8 | 132.5° | 10.2° |
| C13 | C10 | C12 | H9 | 8.7° | 134.9° |
| C13 | C10 | C11 | H10 | 132.2° | 135.0° |
| C13 | C10 | C11 | H11 | 9.1° | 10.2° |
| C13 | C10 | C9 | H12 | 104.8° | 89.4° |
| C13 | C10 | C9 | H13 | 128.5° | 139.6° |
| C7 | C8 | C9 | H5 | 127.3° | 130.7° |
| C7 | C8 | C9 | C10 | 132.9° | 139.6° |
| C8 | C7 | H3 | H4 | 117.9° | 120.0° |
| C7 | C8 | C13 | H6 | 113.8° | 105.9° |
| C7 | C8 | C13 | H7 | 13.0° | 25.1° |
| C7 | C8 | C9 | H12 | 16.2° | 25.1° |
| C7 | C8 | C9 | H13 | 110.5° | 105.9° |
| C8 | C9 | C10 | C11 | 130.1° | 114.9° |
| C8 | C9 | C10 | H12 | 116.6° | 114.5° |
| C8 | C9 | C10 | H13 | 116.6° | 114.5° |
| C8 | C9 | C10 | C12 | 151.4° | 165.1° |
| C9 | C8 | C7 | H3 | 47.2° | 65.0° |
| C9 | C8 | C7 | H4 | 71.5° | 55.0° |
| C9 | C8 | C13 | H6 | 128.4° | 139.5° |
| C9 | C8 | C13 | H7 | 104.8° | 89.5° |
| C8 | C9 | H12 | H13 | 129.1° | 131.4° |
| C10 | C11 | C12 | H10 | 109.4° | 107.5° |
| C10 | C11 | C12 | H11 | 109.4° | 107.4° |
| C11 | C10 | C9 | C12 | 78.5° | 79.9° |
| C11 | C10 | C13 | H6 | 13.5° | 0.4° |
| C11 | C10 | C13 | H7 | 113.3° | 130.6° |
| C10 | C11 | C12 | H8 | 109.4° | 107.5° |
| C10 | C11 | C12 | H9 | 109.4° | 107.4° |
| C10 | C11 | H10 | H11 | 144.9° | 145.8° |
| C11 | C10 | C9 | H12 | 113.2° | 130.6° |
| C11 | C10 | C9 | H13 | 13.5° | 0.4° |
| C11 | C12 | H8 | H9 | 144.8° | 145.8° |
| C12 | C11 | H10 | H11 | 144.9° | 145.8° |
| C10 | C9 | C8 | H5 | 99.8° | 89.7° |
| C9 | C10 | C13 | H6 | 128.5° | 139.6° |
| C9 | C10 | C13 | H7 | 104.8° | 89.4° |
| C9 | C10 | C12 | H8 | 9.4° | 135.0° |
| C9 | C10 | C12 | H9 | 131.8° | 10.1° |
| C9 | C10 | C11 | H10 | 4.4° | 10.2° |
| C9 | C10 | C11 | H11 | 136.8° | 134.9° |
| C10 | C9 | H12 | H13 | 129.0° | 131.3° |
| C12 | C10 | C13 | H6 | 94.5° | 80.4° |
| C12 | C10 | C13 | H7 | 32.3° | 50.6° |
| C10 | C12 | H8 | H9 | 144.9° | 145.8° |
| C12 | C10 | C9 | H12 | 34.7° | 50.6° |
| C12 | C10 | C9 | H13 | 92.0° | 80.4° |
| H3 | C7 | C8 | H5 | 174.4° | 163.8° |
| H4 | C7 | C8 | H5 | 55.7° | 76.1° |
| H5 | C8 | C13 | H6 | 16.8° | 24.8° |
| H5 | C8 | C13 | H7 | 143.5° | 155.9° |
| H5 | C8 | C9 | H12 | 143.5° | 155.8° |
| H5 | C8 | C9 | H13 | 16.8° | 24.8° |
| H8 | C12 | C11 | H10 | 0.0° | 145.0° |
| H8 | C12 | C11 | H11 | 141.2° | 0.1° |
| H9 | C12 | C11 | H10 | 141.2° | 0.0° |
| H9 | C12 | C11 | H11 | 0.0° | 145.2° |
| H14 | C | H15 | H16 | 120.0° | 120.0° |
| H17 | C3 | C2 | H18 | 0.4° | 0.5° |
