SVU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C2 | N | sing | 1.35Å | 1.34Å | Aromatic |
| C2 | C3 | doub | 1.35Å | 1.36Å | Aromatic |
| N | N2 | sing | 1.40Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| N2 | C4 | doub | 1.31Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.49Å | |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| C6 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C1 | C | 112.8° | 109.5° |
| C1 | N | C2 | 127.5° | 126.0° |
| C1 | N | N2 | 120.4° | 126.0° |
| N | C1 | H11 | 108.6° | 109.5° |
| N | C1 | H12 | 108.6° | 109.5° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.4° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C | C1 | H11 | 108.6° | 109.5° |
| C | C1 | H12 | 108.6° | 109.5° |
| N | C2 | C3 | 107.1° | 107.7° |
| C2 | N | N2 | 112.1° | 107.9° |
| N | C2 | H13 | 126.5° | 126.1° |
| C2 | C3 | C4 | 105.5° | 108.0° |
| C3 | C2 | H13 | 126.5° | 126.1° |
| C2 | C3 | H14 | 127.3° | 126.0° |
| N | N2 | C4 | 104.1° | 108.2° |
| C3 | C4 | N2 | 111.3° | 108.2° |
| C3 | C4 | C5 | 128.8° | 125.9° |
| C4 | C3 | H14 | 127.3° | 126.0° |
| N2 | C4 | C5 | 119.9° | 125.9° |
| C4 | C5 | N1 | 114.2° | 109.5° |
| C4 | C5 | H3 | 108.2° | 109.5° |
| C4 | C5 | H4 | 108.3° | 109.5° |
| C5 | N1 | C6 | 112.4° | 111.0° |
| C5 | N1 | H1 | 108.8° | 111.0° |
| N1 | C5 | H3 | 108.3° | 109.4° |
| N1 | C5 | H4 | 108.3° | 109.5° |
| C6 | N1 | H1 | 108.7° | 111.1° |
| N1 | C6 | H5 | 109.5° | 109.5° |
| N1 | C6 | H6 | 109.4° | 109.5° |
| N1 | C6 | H7 | 109.5° | 109.4° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.4° |
| H5 | C6 | H7 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.4° |
| H8 | C | H10 | 109.4° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | C | H11 | 120.5° | 120.0° |
| N | C1 | C | H12 | 120.5° | 120.0° |
| C1 | N | C2 | N2 | 179.1° | 179.9° |
| C1 | N | C2 | C3 | 178.6° | 179.9° |
| C1 | N | N2 | C4 | 178.7° | 180.0° |
| N | C1 | C | H8 | 180.0° | 60.0° |
| N | C1 | C | H9 | 60.0° | 60.0° |
| N | C1 | C | H10 | 60.0° | 180.0° |
| N | C1 | H11 | H12 | 118.5° | 120.0° |
| C1 | N | C2 | H13 | 1.4° | 0.0° |
| C | C1 | N | C2 | 140.2° | 124.9° |
| C | C1 | N | N2 | 38.8° | 55.1° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H10 | 120.0° | 120.1° |
| C | C1 | H11 | H12 | 118.5° | 120.0° |
| N | C2 | C3 | H13 | 180.0° | 179.9° |
| N | C2 | C3 | C4 | 0.3° | 0.2° |
| C2 | N | N2 | C4 | 0.4° | 0.1° |
| C2 | N | C1 | H11 | 19.7° | 115.1° |
| C2 | N | C1 | H12 | 99.3° | 4.9° |
| N | C2 | C3 | H14 | 179.7° | 179.9° |
| C3 | C2 | N | N2 | 0.4° | 0.1° |
| C2 | C3 | C4 | H14 | 180.0° | 179.9° |
| C2 | C3 | C4 | N2 | 0.0° | 0.3° |
| C2 | C3 | C4 | C5 | 179.7° | 180.0° |
| N | N2 | C4 | C3 | 0.2° | 0.2° |
| N | N2 | C4 | C5 | 179.5° | 179.9° |
| N2 | N | C1 | H11 | 159.3° | 64.9° |
| N2 | N | C1 | H12 | 81.7° | 175.0° |
| N2 | N | C2 | H13 | 179.6° | 180.0° |
| C3 | C4 | N2 | C5 | 179.7° | 179.7° |
| C3 | C4 | C5 | N1 | 30.2° | 95.0° |
| C3 | C4 | C5 | H3 | 150.9° | 25.0° |
| C3 | C4 | C5 | H4 | 90.5° | 145.0° |
| C4 | C3 | C2 | H13 | 179.7° | 179.9° |
| N2 | C4 | C5 | N1 | 149.5° | 85.3° |
| N2 | C4 | C5 | H3 | 28.8° | 154.7° |
| N2 | C4 | C5 | H4 | 89.8° | 34.7° |
| N2 | C4 | C3 | H14 | 180.0° | 179.8° |
| C4 | C5 | N1 | H3 | 120.7° | 120.0° |
| C4 | C5 | N1 | H4 | 120.7° | 120.0° |
| C4 | C5 | N1 | C6 | 94.0° | 180.0° |
| C4 | C5 | N1 | H1 | 26.4° | 56.0° |
| C4 | C5 | H3 | H4 | 117.8° | 120.0° |
| C5 | C4 | C3 | H14 | 0.3° | 0.1° |
| C5 | N1 | C6 | H1 | 120.5° | 124.0° |
| N1 | C5 | H3 | H4 | 117.9° | 120.0° |
| C5 | N1 | C6 | H5 | 180.0° | 60.0° |
| C5 | N1 | C6 | H6 | 60.0° | 60.0° |
| C5 | N1 | C6 | H7 | 60.0° | 180.0° |
| C6 | N1 | C5 | H3 | 145.3° | 60.0° |
| C6 | N1 | C5 | H4 | 26.7° | 60.0° |
| N1 | C6 | H5 | H6 | 120.0° | 120.0° |
| N1 | C6 | H5 | H7 | 120.0° | 120.0° |
| N1 | C6 | H6 | H7 | 120.0° | 120.0° |
| H1 | N1 | C5 | H3 | 94.3° | 64.0° |
| H1 | N1 | C5 | H4 | 147.1° | 176.0° |
| H1 | N1 | C6 | H5 | 59.6° | 176.1° |
| H1 | N1 | C6 | H6 | 179.5° | 64.0° |
| H1 | N1 | C6 | H7 | 60.4° | 56.0° |
| H5 | C6 | H6 | H7 | 120.0° | 120.0° |
| H8 | C | H9 | H10 | 120.0° | 120.0° |
| H8 | C | C1 | H11 | 59.5° | 179.9° |
| H8 | C | C1 | H12 | 59.5° | 60.0° |
| H9 | C | C1 | H11 | 179.5° | 60.0° |
| H9 | C | C1 | H12 | 60.5° | 179.9° |
| H10 | C | C1 | H11 | 60.5° | 60.0° |
| H10 | C | C1 | H12 | 179.5° | 60.0° |
| H13 | C2 | C3 | H14 | 0.3° | 0.0° |
