MVL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N10 | sing | 1.35Å | 1.32Å | Aromatic |
| C1 | N1 | doub | 1.30Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| N10 | C5 | sing | 1.46Å | 1.47Å | |
| N10 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.54Å | 1.56Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | doub | 1.35Å | 1.35Å | Aromatic |
| C7 | N1 | sing | 1.34Å | 1.35Å | Aromatic |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O3 | HA | sing | 0.97Å | 0.95Å | |
| O4 | HB | sing | 0.97Å | 0.95Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| O2 | HC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C1 | N1 | 106.7° | 108.7° |
| N10 | C1 | C2 | 122.4° | 123.9° |
| C1 | N10 | C5 | 118.9° | 124.9° |
| C1 | N10 | C8 | 110.4° | 107.4° |
| N1 | C1 | C2 | 130.8° | 127.4° |
| C1 | N1 | C7 | 108.8° | 109.2° |
| C1 | C2 | C3 | 107.8° | 108.2° |
| C1 | C2 | O2 | 111.0° | 109.7° |
| C1 | C2 | H2 | 108.1° | 109.7° |
| C5 | N10 | C8 | 129.1° | 127.8° |
| N10 | C5 | C4 | 106.3° | 108.7° |
| N10 | C5 | C6 | 113.7° | 109.6° |
| N10 | C5 | H5 | 107.6° | 109.6° |
| N10 | C8 | C7 | 105.0° | 106.7° |
| N10 | C8 | H8 | 127.5° | 126.7° |
| C4 | C3 | O3 | 109.3° | 109.6° |
| C4 | C3 | C2 | 114.3° | 109.0° |
| C3 | C4 | C5 | 113.7° | 109.3° |
| C3 | C4 | O4 | 111.8° | 109.4° |
| C4 | C3 | H3 | 107.9° | 109.5° |
| C3 | C4 | H4 | 107.3° | 109.5° |
| O3 | C3 | C2 | 107.5° | 109.4° |
| O3 | C3 | H3 | 109.6° | 109.5° |
| C3 | O3 | HA | 109.5° | 114.0° |
| C3 | C2 | O2 | 113.4° | 109.7° |
| C3 | C2 | H2 | 107.5° | 109.7° |
| C2 | C3 | H3 | 108.1° | 109.9° |
| C5 | C4 | O4 | 107.6° | 109.6° |
| C4 | C5 | C6 | 115.1° | 109.6° |
| C4 | C5 | H5 | 106.9° | 109.6° |
| C5 | C4 | H4 | 107.6° | 109.6° |
| O4 | C4 | H4 | 108.7° | 109.5° |
| C4 | O4 | HB | 109.5° | 114.0° |
| C5 | C6 | O6 | 111.3° | 109.5° |
| C6 | C5 | H5 | 106.9° | 109.8° |
| C5 | C6 | H6C1 | 109.0° | 109.5° |
| C5 | C6 | H6C2 | 109.0° | 109.5° |
| O6 | C6 | H6C1 | 109.0° | 109.5° |
| O6 | C6 | H6C2 | 109.0° | 109.5° |
| C6 | O6 | H6 | 109.5° | 114.1° |
| C8 | C7 | N1 | 108.3° | 108.1° |
| C7 | C8 | H8 | 127.5° | 126.6° |
| C8 | C7 | H7 | 125.9° | 125.9° |
| N1 | C7 | H7 | 125.8° | 126.0° |
| O2 | C2 | H2 | 109.0° | 109.7° |
| C2 | O2 | HC | 109.5° | 114.0° |
| H6C1 | C6 | H6C2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C1 | N1 | C2 | 179.3° | 179.8° |
| C1 | N10 | C5 | C8 | 164.3° | 180.0° |
| N10 | C1 | C2 | C3 | 46.6° | 15.9° |
| C1 | N10 | C5 | C4 | 45.1° | 17.1° |
| C1 | N10 | C5 | C6 | 172.7° | 136.9° |
| C1 | N10 | C8 | C7 | 9.0° | 0.1° |
| N10 | C1 | N1 | C7 | 2.3° | 0.1° |
| N10 | C1 | C2 | O2 | 171.2° | 103.7° |
| N10 | C1 | C2 | H2 | 69.3° | 135.6° |
| C1 | N10 | C5 | H5 | 69.2° | 102.6° |
| C1 | N10 | C8 | H8 | 171.0° | 180.0° |
| N1 | C1 | N10 | C5 | 174.1° | 179.9° |
| N1 | C1 | N10 | C8 | 7.1° | 0.1° |
| N1 | C1 | C2 | C3 | 134.3° | 163.8° |
| C1 | N1 | C7 | C8 | 3.4° | 0.0° |
| N1 | C1 | C2 | O2 | 9.6° | 76.5° |
| N1 | C1 | C2 | H2 | 109.9° | 44.1° |
| C1 | N1 | C7 | H7 | 176.7° | 180.0° |
| C2 | C1 | N10 | C5 | 6.6° | 0.4° |
| C2 | C1 | N10 | C8 | 173.6° | 179.7° |
| C1 | C2 | C3 | C4 | 30.9° | 49.0° |
| C1 | C2 | C3 | O3 | 90.7° | 168.8° |
| C1 | C2 | C3 | O2 | 123.3° | 119.7° |
| C1 | C2 | C3 | H2 | 116.3° | 119.7° |
| C2 | C1 | N1 | C7 | 178.4° | 179.7° |
| C1 | C2 | O2 | H2 | 118.9° | 120.6° |
| C1 | C2 | C3 | H3 | 151.1° | 71.0° |
| C1 | C2 | O2 | HC | 180.0° | 60.0° |
| N10 | C5 | C4 | C3 | 54.6° | 50.6° |
| N10 | C5 | C4 | C6 | 126.7° | 119.8° |
| N10 | C5 | C4 | H5 | 114.7° | 119.7° |
| N10 | C5 | C4 | O4 | 179.0° | 170.5° |
| N10 | C5 | C6 | H5 | 118.6° | 120.4° |
| N10 | C5 | C6 | O6 | 52.0° | 65.0° |
| C5 | N10 | C8 | C7 | 174.3° | 179.9° |
| C5 | N10 | C8 | H8 | 5.7° | 0.1° |
| N10 | C5 | C4 | H4 | 64.0° | 69.3° |
| N10 | C5 | C6 | H6C1 | 68.2° | 175.0° |
| N10 | C5 | C6 | H6C2 | 172.3° | 55.0° |
| C8 | N10 | C5 | C4 | 119.2° | 162.8° |
| C8 | N10 | C5 | C6 | 8.4° | 43.0° |
| N10 | C8 | C7 | H8 | 180.0° | 179.9° |
| N10 | C8 | C7 | N1 | 7.4° | 0.1° |
| C8 | N10 | C5 | H5 | 126.6° | 77.4° |
| N10 | C8 | C7 | H7 | 172.7° | 180.0° |
| C4 | C3 | O3 | C2 | 124.6° | 119.4° |
| C4 | C3 | O3 | H3 | 118.1° | 120.1° |
| C4 | C3 | C2 | H3 | 120.2° | 120.0° |
| C3 | C4 | C5 | O4 | 124.4° | 119.9° |
| C3 | C4 | C5 | H4 | 118.6° | 120.0° |
| C3 | C4 | O4 | H4 | 118.2° | 120.0° |
| C3 | C4 | C5 | C6 | 178.6° | 170.4° |
| C4 | C3 | C2 | O2 | 154.1° | 70.7° |
| C4 | C3 | C2 | H2 | 85.4° | 168.7° |
| C3 | C4 | C5 | H5 | 60.1° | 69.1° |
| C4 | C3 | O3 | HA | 180.0° | 179.9° |
| C3 | C4 | O4 | HB | 180.0° | 60.1° |
| O3 | C3 | C2 | H3 | 118.2° | 120.2° |
| O3 | C3 | C4 | C5 | 137.2° | 170.5° |
| O3 | C3 | C4 | O4 | 100.6° | 50.6° |
| O3 | C3 | C2 | O2 | 32.5° | 49.1° |
| O3 | C3 | C2 | H2 | 153.0° | 71.5° |
| O3 | C3 | C4 | H4 | 18.4° | 69.4° |
| C2 | C3 | C4 | C5 | 16.7° | 69.8° |
| C2 | C3 | C4 | O4 | 138.8° | 170.2° |
| C3 | C2 | O2 | H2 | 119.6° | 120.6° |
| C2 | C3 | C4 | H4 | 102.2° | 50.2° |
| C2 | C3 | O3 | HA | 55.3° | 60.5° |
| C3 | C2 | O2 | HC | 58.5° | 178.8° |
| C5 | C4 | O4 | H4 | 116.2° | 120.2° |
| C4 | C5 | C6 | H5 | 118.6° | 120.4° |
| C4 | C5 | C6 | O6 | 70.8° | 175.7° |
| C5 | C4 | C3 | H3 | 103.6° | 50.4° |
| C5 | C4 | O4 | HB | 54.4° | 179.8° |
| C4 | C5 | C6 | H6C1 | 168.9° | 55.7° |
| C4 | C5 | C6 | H6C2 | 49.5° | 64.2° |
| O4 | C4 | C5 | C6 | 54.3° | 69.7° |
| O4 | C4 | C5 | H5 | 64.3° | 50.8° |
| O4 | C4 | C3 | H3 | 18.5° | 69.5° |
| C5 | C6 | O6 | H6C1 | 120.3° | 120.0° |
| C5 | C6 | O6 | H6C2 | 120.3° | 120.0° |
| C6 | C5 | C4 | H4 | 62.7° | 50.5° |
| C5 | C6 | H6C1 | H6C2 | 119.2° | 120.0° |
| C5 | C6 | O6 | H6 | 180.0° | 180.0° |
| O6 | C6 | C5 | H5 | 170.6° | 55.3° |
| O6 | C6 | H6C1 | H6C2 | 119.1° | 120.0° |
| C8 | C7 | N1 | H7 | 180.0° | 180.0° |
| N1 | C7 | C8 | H8 | 172.7° | 180.0° |
| O2 | C2 | C3 | H3 | 85.7° | 169.3° |
| H2 | C2 | C3 | H3 | 34.8° | 48.7° |
| H2 | C2 | O2 | HC | 61.1° | 60.6° |
| H5 | C5 | C4 | H4 | 178.7° | 170.9° |
| H5 | C5 | C6 | H6C1 | 50.3° | 64.7° |
| H5 | C5 | C6 | H6C2 | 69.1° | 175.4° |
| H8 | C8 | C7 | H7 | 7.3° | 0.0° |
| H3 | C3 | C4 | H4 | 137.6° | 170.5° |
| H3 | C3 | O3 | HA | 61.9° | 59.9° |
| H4 | C4 | O4 | HB | 61.8° | 59.9° |
| H6C1 | C6 | O6 | H6 | 59.8° | 60.0° |
| H6C2 | C6 | O6 | H6 | 59.7° | 60.0° |
