VZM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.36Å | 1.35Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C10 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N | sing | 1.40Å | 1.41Å | |
| O1 | C5 | doub | 1.22Å | 1.23Å | |
| N | C5 | sing | 1.35Å | 1.37Å | |
| C5 | N1 | sing | 1.35Å | 1.40Å | |
| S | C6 | sing | 1.76Å | 1.75Å | Aromatic |
| S | C9 | sing | 1.76Å | 1.72Å | Aromatic |
| N1 | C6 | sing | 1.40Å | 1.40Å | |
| C6 | C7 | doub | 1.34Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.33Å | 1.36Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.45Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 118.3° | 117.0° |
| O | C | H9 | 109.5° | 109.4° |
| O | C | H10 | 109.4° | 109.5° |
| O | C | H11 | 109.5° | 109.5° |
| O | C1 | C2 | 114.0° | 119.6° |
| O | C1 | N2 | 121.5° | 119.6° |
| C2 | C1 | N2 | 124.5° | 120.8° |
| C1 | C2 | C3 | 117.5° | 119.2° |
| C1 | C2 | H8 | 121.3° | 120.4° |
| C1 | N2 | C10 | 116.7° | 121.7° |
| C2 | C3 | C4 | 119.9° | 118.4° |
| C2 | C3 | H7 | 120.0° | 120.8° |
| C3 | C2 | H8 | 121.2° | 120.4° |
| N2 | C10 | C4 | 123.8° | 120.7° |
| N2 | C10 | H4 | 118.1° | 119.6° |
| C3 | C4 | C10 | 117.6° | 119.2° |
| C3 | C4 | N | 120.3° | 120.4° |
| C4 | C3 | H7 | 120.1° | 120.8° |
| C10 | C4 | N | 121.8° | 120.4° |
| C4 | C10 | H4 | 118.1° | 119.7° |
| C4 | N | C5 | 127.8° | 120.0° |
| C4 | N | H6 | 116.1° | 120.0° |
| O1 | C5 | N | 124.0° | 120.0° |
| O1 | C5 | N1 | 121.9° | 120.0° |
| N | C5 | N1 | 114.1° | 120.0° |
| C5 | N | H6 | 116.1° | 120.0° |
| C5 | N1 | C6 | 127.1° | 120.0° |
| C5 | N1 | H1 | 116.5° | 120.0° |
| C6 | S | C9 | 91.3° | 91.0° |
| S | C6 | N1 | 123.7° | 125.3° |
| S | C6 | C7 | 111.9° | 109.5° |
| S | C9 | C8 | 112.7° | 109.7° |
| S | C9 | H5 | 123.7° | 125.1° |
| N1 | C6 | C7 | 124.4° | 125.2° |
| C6 | N1 | H1 | 116.5° | 120.0° |
| C6 | C7 | C8 | 110.3° | 114.8° |
| C6 | C7 | H2 | 124.9° | 122.7° |
| C9 | C8 | C7 | 113.9° | 115.0° |
| C9 | C8 | H3 | 123.1° | 122.5° |
| C8 | C9 | H5 | 123.7° | 125.2° |
| C8 | C7 | H2 | 124.9° | 122.6° |
| C7 | C8 | H3 | 123.0° | 122.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 178.5° | 180.0° |
| C | O | C1 | N2 | 1.6° | 0.3° |
| O | C | H9 | H10 | 120.0° | 120.0° |
| O | C | H9 | H11 | 120.0° | 120.0° |
| O | C | H10 | H11 | 120.0° | 120.0° |
| O | C1 | C2 | N2 | 180.0° | 179.8° |
| O | C1 | C2 | C3 | 178.9° | 180.0° |
| O | C1 | N2 | C10 | 179.5° | 180.0° |
| O | C1 | C2 | H8 | 1.1° | 0.1° |
| C1 | O | C | H9 | 180.0° | 180.0° |
| C1 | O | C | H10 | 60.0° | 60.0° |
| C1 | O | C | H11 | 60.0° | 60.0° |
| C1 | C2 | C3 | H8 | 180.0° | 179.9° |
| C2 | C1 | N2 | C10 | 0.4° | 0.2° |
| C1 | C2 | C3 | C4 | 2.8° | 0.1° |
| C1 | C2 | C3 | H7 | 177.2° | 180.0° |
| N2 | C1 | C2 | C3 | 1.1° | 0.2° |
| C1 | N2 | C10 | C4 | 0.4° | 0.0° |
| C1 | N2 | C10 | H4 | 179.6° | 179.9° |
| N2 | C1 | C2 | H8 | 178.9° | 179.7° |
| C2 | C3 | C4 | H7 | 180.0° | 179.9° |
| C2 | C3 | C4 | C10 | 2.9° | 0.3° |
| C2 | C3 | C4 | N | 170.5° | 180.0° |
| N2 | C10 | C4 | C3 | 1.3° | 0.3° |
| N2 | C10 | C4 | H4 | 180.0° | 179.9° |
| N2 | C10 | C4 | N | 172.0° | 180.0° |
| C3 | C4 | C10 | N | 173.3° | 179.7° |
| C3 | C4 | N | C5 | 1.5° | 32.9° |
| C3 | C4 | C10 | H4 | 178.7° | 179.8° |
| C3 | C4 | N | H6 | 178.5° | 147.2° |
| C4 | C3 | C2 | H8 | 177.2° | 180.0° |
| C10 | C4 | N | C5 | 171.6° | 147.4° |
| C10 | C4 | N | H6 | 8.4° | 32.5° |
| C10 | C4 | C3 | H7 | 177.1° | 179.8° |
| C4 | N | C5 | O1 | 9.1° | 5.2° |
| C4 | N | C5 | H6 | 180.0° | 179.9° |
| C4 | N | C5 | N1 | 170.8° | 174.7° |
| N | C4 | C10 | H4 | 8.0° | 0.1° |
| N | C4 | C3 | H7 | 9.5° | 0.1° |
| O1 | C5 | N | N1 | 180.0° | 180.0° |
| O1 | C5 | N1 | C6 | 1.8° | 0.0° |
| O1 | C5 | N1 | H1 | 178.2° | 179.8° |
| O1 | C5 | N | H6 | 170.9° | 174.7° |
| N | C5 | N1 | C6 | 178.2° | 180.0° |
| N | C5 | N1 | H1 | 1.8° | 0.3° |
| C5 | N1 | C6 | S | 11.8° | 0.6° |
| C5 | N1 | C6 | H1 | 180.0° | 179.8° |
| C5 | N1 | C6 | C7 | 169.3° | 179.7° |
| N1 | C5 | N | H6 | 9.2° | 5.4° |
| S | C6 | N1 | C7 | 178.9° | 179.7° |
| C6 | S | C9 | C8 | 0.0° | 0.3° |
| S | C6 | C7 | C8 | 0.3° | 0.2° |
| S | C6 | N1 | H1 | 168.2° | 179.6° |
| S | C6 | C7 | H2 | 179.7° | 179.8° |
| C6 | S | C9 | H5 | 180.0° | 180.0° |
| C9 | S | C6 | N1 | 178.8° | 180.0° |
| C9 | S | C6 | C7 | 0.2° | 0.3° |
| S | C9 | C8 | H5 | 180.0° | 179.8° |
| S | C9 | C8 | C7 | 0.1° | 0.2° |
| S | C9 | C8 | H3 | 179.8° | 179.8° |
| N1 | C6 | C7 | C8 | 178.7° | 180.0° |
| N1 | C6 | C7 | H2 | 1.3° | 0.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C6 | C7 | C8 | H2 | 180.0° | 180.0° |
| C7 | C6 | N1 | H1 | 10.7° | 0.1° |
| C6 | C7 | C8 | H3 | 179.7° | 180.0° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | H2 | 179.7° | 180.0° |
| C7 | C8 | C9 | H5 | 179.9° | 180.0° |
| H2 | C7 | C8 | H3 | 0.3° | 0.0° |
| H3 | C8 | C9 | H5 | 0.2° | 0.0° |
| H7 | C3 | C2 | H8 | 2.8° | 0.1° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
