VNC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | O1 | sing | 1.45Å | 1.17Å | |
| O | C2 | doub | 1.21Å | 1.16Å | |
| O1 | C2 | sing | 1.34Å | 1.26Å | |
| C2 | C1 | sing | 1.51Å | 1.36Å | |
| C1 | N | sing | 1.47Å | 1.45Å | |
| C | N | sing | 1.47Å | 1.51Å | |
| N | S | sing | 1.66Å | 1.54Å | |
| O3 | S | doub | 1.42Å | 1.30Å | |
| S | O2 | doub | 1.42Å | 1.27Å | |
| S | C4 | sing | 1.76Å | 1.48Å | |
| C4 | C5 | doub | 1.38Å | 1.31Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.30Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.32Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.35Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.35Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | O1 | C2 | 131.0° | 117.0° |
| O1 | C3 | H8 | 109.5° | 109.5° |
| O1 | C3 | H9 | 109.5° | 109.5° |
| O1 | C3 | H10 | 109.5° | 109.5° |
| O | C2 | O1 | 120.6° | 120.0° |
| O | C2 | C1 | 123.7° | 120.0° |
| O1 | C2 | C1 | 115.5° | 120.0° |
| C2 | C1 | N | 118.7° | 109.5° |
| C2 | C1 | H4 | 107.1° | 109.5° |
| C2 | C1 | H5 | 107.1° | 109.5° |
| C1 | N | C | 129.6° | 120.0° |
| C1 | N | S | 110.8° | 120.0° |
| N | C1 | H4 | 107.1° | 109.5° |
| N | C1 | H5 | 107.1° | 109.5° |
| C | N | S | 119.6° | 120.0° |
| N | C | H11 | 109.5° | 109.4° |
| N | C | H12 | 109.4° | 109.5° |
| N | C | H13 | 109.5° | 109.5° |
| N | S | O3 | 112.3° | 106.4° |
| N | S | O2 | 102.6° | 106.4° |
| N | S | C4 | 95.8° | 107.2° |
| O3 | S | O2 | 118.9° | 123.2° |
| O3 | S | C4 | 110.9° | 106.4° |
| O2 | S | C4 | 113.7° | 106.4° |
| S | C4 | C5 | 120.6° | 120.0° |
| S | C4 | C9 | 119.0° | 120.1° |
| C5 | C4 | C9 | 120.0° | 119.9° |
| C4 | C5 | C6 | 121.9° | 120.0° |
| C4 | C5 | H6 | 119.0° | 120.0° |
| C4 | C9 | C8 | 120.6° | 120.0° |
| C4 | C9 | H3 | 119.7° | 119.9° |
| C5 | C6 | C7 | 118.6° | 120.0° |
| C6 | C5 | H6 | 119.1° | 120.0° |
| C5 | C6 | H7 | 120.7° | 120.0° |
| C9 | C8 | C7 | 117.9° | 120.0° |
| C9 | C8 | H2 | 121.0° | 120.0° |
| C8 | C9 | H3 | 119.7° | 120.0° |
| C6 | C7 | C8 | 121.0° | 120.0° |
| C6 | C7 | H1 | 119.5° | 120.0° |
| C7 | C6 | H7 | 120.7° | 120.0° |
| C8 | C7 | H1 | 119.5° | 120.0° |
| C7 | C8 | H2 | 121.0° | 120.0° |
| H4 | C1 | H5 | 109.5° | 109.4° |
| H8 | C3 | H9 | 109.5° | 109.4° |
| H8 | C3 | H10 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
| H11 | C | H13 | 109.4° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | O1 | C2 | O | 9.3° | 0.0° |
| C3 | O1 | C2 | C1 | 174.1° | 180.0° |
| O1 | C3 | H8 | H9 | 120.0° | 120.0° |
| O1 | C3 | H8 | H10 | 120.0° | 120.0° |
| O1 | C3 | H9 | H10 | 120.0° | 120.0° |
| O | C2 | O1 | C1 | 176.6° | 180.0° |
| O | C2 | C1 | N | 164.2° | 0.0° |
| O | C2 | C1 | H4 | 43.0° | 120.0° |
| O | C2 | C1 | H5 | 74.5° | 120.0° |
| O1 | C2 | C1 | N | 19.3° | 179.9° |
| O1 | C2 | C1 | H4 | 140.6° | 60.0° |
| O1 | C2 | C1 | H5 | 102.0° | 59.9° |
| C2 | O1 | C3 | H8 | 180.0° | 179.9° |
| C2 | O1 | C3 | H9 | 60.0° | 60.0° |
| C2 | O1 | C3 | H10 | 60.0° | 60.0° |
| C2 | C1 | N | H4 | 121.3° | 120.1° |
| C2 | C1 | N | H5 | 121.3° | 120.0° |
| C2 | C1 | N | C | 22.4° | 85.0° |
| C2 | C1 | N | S | 156.8° | 95.0° |
| C2 | C1 | H4 | H5 | 115.8° | 120.0° |
| C1 | N | C | S | 179.1° | 180.0° |
| C1 | N | S | O3 | 27.2° | 23.5° |
| C1 | N | S | O2 | 155.9° | 156.5° |
| C1 | N | S | C4 | 88.2° | 90.0° |
| N | C1 | H4 | H5 | 115.9° | 120.0° |
| C1 | N | C | H11 | 180.0° | 90.0° |
| C1 | N | C | H12 | 60.0° | 150.0° |
| C1 | N | C | H13 | 60.0° | 30.0° |
| C | N | S | O3 | 153.5° | 156.5° |
| C | N | S | O2 | 24.8° | 23.6° |
| C | N | S | C4 | 91.1° | 90.0° |
| C | N | C1 | H4 | 143.7° | 154.9° |
| C | N | C1 | H5 | 98.9° | 35.0° |
| N | C | H11 | H12 | 120.0° | 120.0° |
| N | C | H11 | H13 | 120.0° | 120.0° |
| N | C | H12 | H13 | 120.0° | 120.1° |
| N | S | O3 | O2 | 119.6° | 122.9° |
| N | S | O3 | C4 | 105.8° | 114.1° |
| N | S | O2 | C4 | 102.2° | 114.1° |
| N | S | C4 | C5 | 101.8° | 90.0° |
| N | S | C4 | C9 | 70.3° | 90.4° |
| S | N | C1 | H4 | 35.6° | 25.0° |
| S | N | C1 | H5 | 81.9° | 145.0° |
| S | N | C | H11 | 0.8° | 90.0° |
| S | N | C | H12 | 120.9° | 29.9° |
| S | N | C | H13 | 119.1° | 150.0° |
| O3 | S | O2 | C4 | 133.4° | 123.0° |
| O3 | S | C4 | C5 | 14.7° | 156.5° |
| O3 | S | C4 | C9 | 173.2° | 23.1° |
| O2 | S | C4 | C5 | 151.7° | 23.5° |
| O2 | S | C4 | C9 | 36.1° | 156.1° |
| S | C4 | C5 | C9 | 172.1° | 179.6° |
| S | C4 | C5 | C6 | 168.8° | 180.0° |
| S | C4 | C9 | C8 | 169.8° | 179.9° |
| S | C4 | C9 | H3 | 10.2° | 0.1° |
| S | C4 | C5 | H6 | 11.2° | 0.1° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | C9 | C8 | 2.4° | 0.3° |
| C4 | C5 | C6 | C7 | 1.7° | 0.1° |
| C5 | C4 | C9 | H3 | 177.6° | 179.7° |
| C4 | C5 | C6 | H7 | 178.3° | 179.9° |
| C9 | C4 | C5 | C6 | 3.2° | 0.4° |
| C4 | C9 | C8 | H3 | 180.0° | 180.0° |
| C4 | C9 | C8 | C7 | 0.1° | 0.0° |
| C4 | C9 | C8 | H2 | 179.9° | 180.0° |
| C9 | C4 | C5 | H6 | 176.7° | 179.7° |
| C5 | C6 | C7 | H7 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.7° | 0.2° |
| C5 | C6 | C7 | H1 | 179.3° | 180.0° |
| C9 | C8 | C7 | C6 | 1.4° | 0.3° |
| C9 | C8 | C7 | H2 | 180.0° | 180.0° |
| C9 | C8 | C7 | H1 | 178.6° | 180.0° |
| C6 | C7 | C8 | H1 | 180.0° | 179.7° |
| C6 | C7 | C8 | H2 | 178.6° | 179.7° |
| C7 | C6 | C5 | H6 | 178.3° | 180.0° |
| C7 | C8 | C9 | H3 | 179.9° | 180.0° |
| C8 | C7 | C6 | H7 | 179.3° | 179.6° |
| H1 | C7 | C8 | H2 | 1.4° | 0.0° |
| H1 | C7 | C6 | H7 | 0.7° | 0.1° |
| H2 | C8 | C9 | H3 | 0.1° | 0.0° |
| H6 | C5 | C6 | H7 | 1.7° | 0.1° |
| H8 | C3 | H9 | H10 | 120.0° | 120.0° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
