WZ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C6 | sing | 1.35Å | 1.38Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.43Å | Aromatic |
| C3 | N1 | sing | 1.32Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.48Å | |
| C6 | O1 | doub | 1.21Å | 1.24Å | |
| C5 | C1 | doub | 1.40Å | 1.38Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | N3 | sing | 1.39Å | 1.36Å | |
| N3 | C7 | sing | 1.46Å | 1.48Å | |
| C7 | C8 | sing | 1.55Å | 1.54Å | |
| C7 | C11 | sing | 1.55Å | 1.54Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | doub | 1.31Å | 1.33Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C6 | C5 | 119.9° | 120.0° |
| N2 | C6 | O1 | 117.8° | 120.0° |
| C6 | N2 | H5 | 120.0° | 119.9° |
| C6 | N2 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | 121.2° | 119.1° |
| C4 | C3 | N1 | 119.7° | 121.0° |
| C3 | C4 | H3 | 119.4° | 120.5° |
| C4 | C3 | H2 | 120.2° | 119.5° |
| C4 | C5 | C6 | 121.9° | 120.9° |
| C4 | C5 | C1 | 118.6° | 118.2° |
| C5 | C4 | H3 | 119.4° | 120.4° |
| C3 | N1 | C2 | 119.9° | 121.9° |
| N1 | C3 | H2 | 120.2° | 119.5° |
| C5 | C6 | O1 | 122.3° | 120.0° |
| C6 | C5 | C1 | 119.4° | 120.9° |
| C5 | C1 | C2 | 120.3° | 118.9° |
| C5 | C1 | H1 | 119.9° | 120.5° |
| N1 | C2 | C1 | 120.3° | 120.8° |
| N1 | C2 | N3 | 117.6° | 119.6° |
| C1 | C2 | N3 | 122.1° | 119.6° |
| C2 | C1 | H1 | 119.8° | 120.6° |
| C2 | N3 | C7 | 124.0° | 120.0° |
| C2 | N3 | H6 | 105.7° | 120.0° |
| N3 | C7 | C8 | 110.6° | 111.1° |
| N3 | C7 | C11 | 108.1° | 111.1° |
| N3 | C7 | H7 | 111.8° | 110.9° |
| C7 | N3 | H6 | 105.8° | 120.0° |
| C8 | C7 | C11 | 104.3° | 101.4° |
| C7 | C8 | C9 | 100.0° | 104.7° |
| C8 | C7 | H7 | 110.9° | 111.0° |
| C7 | C8 | H9 | 111.8° | 110.4° |
| C7 | C8 | H8 | 111.8° | 110.4° |
| C7 | C11 | C10 | 100.2° | 104.8° |
| C7 | C11 | H12 | 111.7° | 110.4° |
| C7 | C11 | H13 | 111.7° | 110.5° |
| C11 | C7 | H7 | 110.8° | 111.0° |
| C8 | C9 | C10 | 111.6° | 111.1° |
| C9 | C8 | H9 | 111.8° | 110.4° |
| C9 | C8 | H8 | 111.8° | 110.4° |
| C8 | C9 | H10 | 124.2° | 124.4° |
| C9 | C10 | C11 | 111.7° | 111.1° |
| C10 | C9 | H10 | 124.2° | 124.5° |
| C9 | C10 | H11 | 124.2° | 124.4° |
| C10 | C11 | H12 | 111.7° | 110.4° |
| C10 | C11 | H13 | 111.8° | 110.4° |
| C11 | C10 | H11 | 124.2° | 124.5° |
| H12 | C11 | H13 | 109.4° | 110.3° |
| H9 | C8 | H8 | 109.5° | 110.4° |
| H5 | N2 | H4 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C6 | C5 | C4 | 0.9° | 0.0° |
| N2 | C6 | C5 | O1 | 179.5° | 180.0° |
| N2 | C6 | C5 | C1 | 179.1° | 179.9° |
| C6 | N2 | H5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.7° |
| C4 | C3 | N1 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.9° | 179.9° |
| C3 | C4 | C5 | C1 | 0.1° | 0.0° |
| C4 | C3 | N1 | C2 | 0.0° | 0.0° |
| C5 | C4 | C3 | N1 | 0.0° | 0.0° |
| C4 | C5 | C6 | C1 | 180.0° | 179.9° |
| C4 | C5 | C6 | O1 | 179.6° | 180.0° |
| C4 | C5 | C1 | C2 | 0.1° | 0.1° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C4 | C5 | C1 | H1 | 179.9° | 180.0° |
| C3 | N1 | C2 | C1 | 0.1° | 0.1° |
| C3 | N1 | C2 | N3 | 179.9° | 180.0° |
| N1 | C3 | C4 | H3 | 180.0° | 179.7° |
| C6 | C5 | C1 | C2 | 179.9° | 180.0° |
| C6 | C5 | C4 | H3 | 0.0° | 0.2° |
| C5 | C6 | N2 | H5 | 179.5° | 0.0° |
| C5 | C6 | N2 | H4 | 0.5° | 180.0° |
| C6 | C5 | C1 | H1 | 0.1° | 0.1° |
| O1 | C6 | C5 | C1 | 0.4° | 0.1° |
| O1 | C6 | N2 | H5 | 0.0° | 180.0° |
| O1 | C6 | N2 | H4 | 180.0° | 0.0° |
| C5 | C1 | C2 | N1 | 0.1° | 0.1° |
| C5 | C1 | C2 | H1 | 180.0° | 179.9° |
| C5 | C1 | C2 | N3 | 179.9° | 180.0° |
| C1 | C5 | C4 | H3 | 180.0° | 179.7° |
| N1 | C2 | C1 | N3 | 179.8° | 179.9° |
| N1 | C2 | N3 | C7 | 22.2° | 180.0° |
| C2 | N1 | C3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | H6 | 99.8° | 0.1° |
| N1 | C2 | C1 | H1 | 179.9° | 180.0° |
| C1 | C2 | N3 | C7 | 157.6° | 0.0° |
| C1 | C2 | N3 | H6 | 80.4° | 180.0° |
| C2 | N3 | C7 | H6 | 122.0° | 180.0° |
| C2 | N3 | C7 | C8 | 67.4° | 155.0° |
| C2 | N3 | C7 | C11 | 179.0° | 93.0° |
| C2 | N3 | C7 | H7 | 56.7° | 31.0° |
| N3 | C2 | C1 | H1 | 0.1° | 0.1° |
| N3 | C7 | C8 | C11 | 116.0° | 118.1° |
| N3 | C7 | C8 | H7 | 124.7° | 123.9° |
| N3 | C7 | C11 | H7 | 122.9° | 124.0° |
| N3 | C7 | C8 | C9 | 149.2° | 142.7° |
| N3 | C7 | C11 | C10 | 150.3° | 142.7° |
| N3 | C7 | C11 | H12 | 91.2° | 98.5° |
| N3 | C7 | C11 | H13 | 31.8° | 23.8° |
| N3 | C7 | C8 | H9 | 30.8° | 23.9° |
| N3 | C7 | C8 | H8 | 92.4° | 98.5° |
| C8 | C7 | C11 | H7 | 119.4° | 118.0° |
| C7 | C8 | C9 | H9 | 118.4° | 118.8° |
| C7 | C8 | C9 | H8 | 118.4° | 118.8° |
| C7 | C8 | C9 | C10 | 21.9° | 16.4° |
| C8 | C7 | C11 | C10 | 32.6° | 24.6° |
| C8 | C7 | C11 | H12 | 151.1° | 143.5° |
| C8 | C7 | C11 | H13 | 85.9° | 94.3° |
| C7 | C8 | H9 | H8 | 124.4° | 122.4° |
| C7 | C8 | C9 | H10 | 158.1° | 163.6° |
| C8 | C7 | N3 | H6 | 170.6° | 25.0° |
| C11 | C7 | C8 | C9 | 33.2° | 24.6° |
| C7 | C11 | C10 | C9 | 20.1° | 16.5° |
| C7 | C11 | C10 | H12 | 118.5° | 118.8° |
| C7 | C11 | C10 | H13 | 118.5° | 118.9° |
| C7 | C11 | H12 | H13 | 124.3° | 122.4° |
| C11 | C7 | C8 | H9 | 85.2° | 94.2° |
| C11 | C7 | C8 | H8 | 151.6° | 143.4° |
| C7 | C11 | C10 | H11 | 159.9° | 163.6° |
| C11 | C7 | N3 | H6 | 57.0° | 87.0° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 1.2° | 0.0° |
| C9 | C8 | C7 | H7 | 86.2° | 93.4° |
| C9 | C8 | H9 | H8 | 124.4° | 122.3° |
| C8 | C9 | C10 | H11 | 178.8° | 180.0° |
| C9 | C10 | C11 | H11 | 180.0° | 179.9° |
| C9 | C10 | C11 | H12 | 138.6° | 135.3° |
| C9 | C10 | C11 | H13 | 98.4° | 102.5° |
| C10 | C9 | C8 | H9 | 96.5° | 102.4° |
| C10 | C9 | C8 | H8 | 140.3° | 135.2° |
| C10 | C11 | H12 | H13 | 124.3° | 122.3° |
| C10 | C11 | C7 | H7 | 86.7° | 93.4° |
| C11 | C10 | C9 | H10 | 178.8° | 180.0° |
| H3 | C4 | C3 | H2 | 0.0° | 0.3° |
| H12 | C11 | C7 | H7 | 31.7° | 25.5° |
| H12 | C11 | C10 | H11 | 41.4° | 44.7° |
| H13 | C11 | C7 | H7 | 154.8° | 147.7° |
| H13 | C11 | C10 | H11 | 81.6° | 77.5° |
| H7 | C7 | C8 | H9 | 155.4° | 147.8° |
| H7 | C7 | C8 | H8 | 32.3° | 25.4° |
| H7 | C7 | N3 | H6 | 65.3° | 149.0° |
| H9 | C8 | C9 | H10 | 83.5° | 77.6° |
| H8 | C8 | C9 | H10 | 39.7° | 44.8° |
| H10 | C9 | C10 | H11 | 1.2° | 0.0° |
