MV2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.43Å | |
| C | C9 | sing | 1.53Å | 1.52Å | |
| N | C6 | sing | 1.35Å | 1.33Å | |
| N | C8 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | C5 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | O6 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C9 | 109.5° | 109.5° |
| O | C | H | 109.5° | 109.5° |
| O | C | HA | 109.5° | 109.5° |
| C | O | HO | 109.5° | 114.0° |
| C | C9 | C8 | 111.0° | 109.5° |
| C9 | C | H | 109.5° | 109.5° |
| C9 | C | HA | 109.5° | 109.4° |
| C | C9 | H9 | 109.0° | 109.5° |
| C | C9 | H9A | 109.0° | 109.4° |
| C6 | N | C8 | 127.1° | 120.0° |
| N | C6 | C5 | 116.5° | 120.0° |
| N | C6 | O6 | 122.9° | 120.0° |
| C6 | N | HN | 116.5° | 120.0° |
| N | C8 | C9 | 105.0° | 109.4° |
| C8 | N | HN | 116.5° | 120.0° |
| N | C8 | H8 | 111.0° | 109.5° |
| N | C8 | H8A | 111.0° | 109.4° |
| C2 | C1 | C3 | 109.0° | 109.4° |
| C2 | C1 | C4 | 109.0° | 109.5° |
| C2 | C1 | C5 | 109.0° | 109.5° |
| C1 | C2 | O2 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H2A | 109.5° | 109.5° |
| C3 | C1 | C4 | 109.9° | 109.5° |
| C3 | C1 | C5 | 109.9° | 109.5° |
| C1 | C3 | H3 | 109.5° | 109.5° |
| C1 | C3 | H3A | 109.5° | 109.4° |
| C1 | C3 | H3B | 109.4° | 109.5° |
| C4 | C1 | C5 | 109.9° | 109.5° |
| C1 | C4 | H4 | 109.5° | 109.5° |
| C1 | C4 | H4A | 109.5° | 109.5° |
| C1 | C4 | H4B | 109.4° | 109.5° |
| C1 | C5 | O5 | 109.5° | 109.5° |
| C1 | C5 | C6 | 109.4° | 109.5° |
| C1 | C5 | H5 | 109.5° | 109.5° |
| O2 | C2 | H2 | 109.5° | 109.5° |
| O2 | C2 | H2A | 109.5° | 109.4° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O5 | C5 | C6 | 109.5° | 109.5° |
| O5 | C5 | H5 | 109.5° | 109.5° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| C5 | C6 | O6 | 120.6° | 120.0° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| C9 | C8 | H8 | 111.0° | 109.5° |
| C9 | C8 | H8A | 111.0° | 109.4° |
| C8 | C9 | H9 | 109.0° | 109.5° |
| C8 | C9 | H9A | 109.0° | 109.5° |
| H | C | HA | 109.5° | 109.4° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H3 | C3 | H3B | 109.5° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.4° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| H8 | C8 | H8A | 107.9° | 109.5° |
| H9 | C9 | H9A | 110.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C9 | H | 120.0° | 120.0° |
| O | C | C9 | HA | 120.0° | 120.0° |
| O | C | C9 | C8 | 152.4° | 180.0° |
| O | C | H | HA | 120.0° | 120.0° |
| O | C | C9 | H9 | 87.6° | 60.0° |
| O | C | C9 | H9A | 32.3° | 60.0° |
| C | C9 | C8 | N | 55.8° | 180.0° |
| C | C9 | C8 | H9 | 120.0° | 120.0° |
| C | C9 | C8 | H9A | 120.0° | 120.0° |
| C9 | C | H | HA | 120.0° | 119.9° |
| C9 | C | O | HO | 180.0° | 180.0° |
| C | C9 | C8 | H8 | 175.8° | 60.0° |
| C | C9 | C8 | H8A | 64.2° | 60.1° |
| C | C9 | H9 | H9A | 119.4° | 120.0° |
| C6 | N | C8 | HN | 180.0° | 179.9° |
| N | C6 | C5 | C1 | 163.5° | 111.0° |
| N | C6 | C5 | O5 | 43.6° | 9.0° |
| N | C6 | C5 | O6 | 180.0° | 180.0° |
| C6 | N | C8 | C9 | 72.9° | 180.0° |
| N | C6 | C5 | H5 | 76.4° | 128.9° |
| C6 | N | C8 | H8 | 167.1° | 60.0° |
| C6 | N | C8 | H8A | 47.1° | 60.1° |
| C8 | N | C6 | C5 | 180.0° | 174.9° |
| C8 | N | C6 | O6 | 0.0° | 5.1° |
| N | C8 | C9 | H8 | 120.0° | 120.0° |
| N | C8 | C9 | H8A | 120.0° | 119.9° |
| N | C8 | H8 | H8A | 121.8° | 120.0° |
| N | C8 | C9 | H9 | 175.8° | 60.0° |
| N | C8 | C9 | H9A | 64.2° | 60.0° |
| C2 | C1 | C3 | C4 | 119.4° | 120.0° |
| C2 | C1 | C3 | C5 | 119.5° | 120.0° |
| C2 | C1 | C4 | C5 | 119.5° | 120.1° |
| C1 | C2 | O2 | H2 | 120.0° | 120.0° |
| C1 | C2 | O2 | H2A | 120.0° | 120.0° |
| C2 | C1 | C5 | O5 | 48.8° | 53.8° |
| C2 | C1 | C5 | C6 | 168.8° | 173.8° |
| C1 | C2 | H2 | H2A | 120.0° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C2 | C1 | C3 | H3 | 180.0° | 64.1° |
| C2 | C1 | C3 | H3A | 60.0° | 175.9° |
| C2 | C1 | C3 | H3B | 60.0° | 56.0° |
| C2 | C1 | C4 | H4 | 180.0° | 60.0° |
| C2 | C1 | C4 | H4A | 60.0° | 180.0° |
| C2 | C1 | C4 | H4B | 60.0° | 59.9° |
| C2 | C1 | C5 | H5 | 71.2° | 66.2° |
| C3 | C1 | C4 | C5 | 121.1° | 120.0° |
| C3 | C1 | C2 | O2 | 50.0° | 60.0° |
| C3 | C1 | C5 | O5 | 70.7° | 173.8° |
| C3 | C1 | C5 | C6 | 49.3° | 66.3° |
| C3 | C1 | C2 | H2 | 70.1° | 60.0° |
| C3 | C1 | C2 | H2A | 169.9° | 180.0° |
| C1 | C3 | H3 | H3A | 120.0° | 119.9° |
| C1 | C3 | H3 | H3B | 120.0° | 120.0° |
| C1 | C3 | H3A | H3B | 120.0° | 119.9° |
| C3 | C1 | C4 | H4 | 60.6° | 180.0° |
| C3 | C1 | C4 | H4A | 179.4° | 60.0° |
| C3 | C1 | C4 | H4B | 59.4° | 60.0° |
| C3 | C1 | C5 | H5 | 169.3° | 53.8° |
| C4 | C1 | C2 | O2 | 169.9° | 60.0° |
| C4 | C1 | C5 | O5 | 168.3° | 66.2° |
| C4 | C1 | C5 | C6 | 71.8° | 53.7° |
| C4 | C1 | C2 | H2 | 49.9° | 180.0° |
| C4 | C1 | C2 | H2A | 70.1° | 60.0° |
| C4 | C1 | C3 | H3 | 60.6° | 55.9° |
| C4 | C1 | C3 | H3A | 59.4° | 64.1° |
| C4 | C1 | C3 | H3B | 179.4° | 175.9° |
| C1 | C4 | H4 | H4A | 120.0° | 120.0° |
| C1 | C4 | H4 | H4B | 120.0° | 120.0° |
| C1 | C4 | H4A | H4B | 120.0° | 120.0° |
| C4 | C1 | C5 | H5 | 48.2° | 173.8° |
| C5 | C1 | C2 | O2 | 70.1° | 180.0° |
| C1 | C5 | O5 | C6 | 119.9° | 120.0° |
| C1 | C5 | O5 | H5 | 120.0° | 120.0° |
| C1 | C5 | C6 | H5 | 120.0° | 120.0° |
| C1 | C5 | C6 | O6 | 16.4° | 69.0° |
| C5 | C1 | C2 | H2 | 169.9° | 60.0° |
| C5 | C1 | C2 | H2A | 49.9° | 60.0° |
| C5 | C1 | C3 | H3 | 60.5° | 175.9° |
| C5 | C1 | C3 | H3A | 179.5° | 55.9° |
| C5 | C1 | C3 | H3B | 59.5° | 64.0° |
| C5 | C1 | C4 | H4 | 60.5° | 60.0° |
| C5 | C1 | C4 | H4A | 59.5° | 60.0° |
| C5 | C1 | C4 | H4B | 179.5° | 180.0° |
| C1 | C5 | O5 | HO5 | 180.0° | 60.0° |
| O2 | C2 | H2 | H2A | 120.0° | 120.0° |
| O5 | C5 | C6 | H5 | 120.0° | 120.0° |
| O5 | C5 | C6 | O6 | 136.4° | 171.1° |
| C5 | C6 | N | HN | 0.0° | 5.1° |
| C6 | C5 | O5 | HO5 | 60.1° | 60.0° |
| O6 | C6 | N | HN | 180.0° | 174.9° |
| O6 | C6 | C5 | H5 | 103.6° | 51.1° |
| C8 | C9 | C | H | 32.4° | 60.0° |
| C8 | C9 | C | HA | 87.6° | 59.9° |
| C9 | C8 | N | HN | 107.1° | 0.1° |
| C9 | C8 | H8 | H8A | 121.8° | 120.0° |
| C8 | C9 | H9 | H9A | 119.4° | 120.1° |
| H | C | O | HO | 60.0° | 60.0° |
| H | C | C9 | H9 | 152.4° | 180.0° |
| H | C | C9 | H9A | 87.7° | 60.0° |
| HA | C | O | HO | 60.0° | 60.0° |
| HA | C | C9 | H9 | 32.4° | 60.1° |
| HA | C | C9 | H9A | 152.3° | 180.0° |
| HN | N | C8 | H8 | 12.9° | 119.9° |
| HN | N | C8 | H8A | 132.9° | 120.0° |
| H2 | C2 | O2 | HO2 | 60.0° | 60.0° |
| H2A | C2 | O2 | HO2 | 60.0° | 60.0° |
| H3 | C3 | H3A | H3B | 120.0° | 120.1° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| H5 | C5 | O5 | HO5 | 60.0° | 180.0° |
| H8 | C8 | C9 | H9 | 64.2° | 60.0° |
| H8 | C8 | C9 | H9A | 55.8° | NaN° |
| H8A | C8 | C9 | H9 | 55.8° | 179.9° |
| H8A | C8 | C9 | H9A | 175.8° | 59.9° |
