QT5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C11 | sing | 1.47Å | 1.46Å | |
| C11 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | N2 | sing | 1.40Å | 1.44Å | |
| C4 | N2 | sing | 1.37Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.35Å | 1.36Å | Aromatic |
| N2 | C2 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | N1 | sing | 1.34Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C2 | N1 | doub | 1.30Å | 1.31Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N3 | H12 | sing | 1.01Å | 1.00Å | |
| N3 | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C11 | C9 | 113.7° | 109.4° |
| N3 | C11 | H10 | 108.4° | 109.4° |
| N3 | C11 | H11 | 108.4° | 109.5° |
| C11 | N3 | H12 | 109.5° | 111.0° |
| C11 | N3 | H13 | 109.5° | 111.0° |
| C11 | C9 | C8 | 119.6° | 120.0° |
| C11 | C9 | C10 | 121.6° | 119.9° |
| C9 | C11 | H10 | 108.4° | 109.5° |
| C9 | C11 | H11 | 108.4° | 109.5° |
| C9 | C8 | C7 | 119.9° | 120.1° |
| C8 | C9 | C10 | 118.8° | 120.1° |
| C9 | C8 | H8 | 120.0° | 119.9° |
| C8 | C7 | C6 | 121.3° | 120.1° |
| C8 | C7 | H7 | 119.3° | 120.0° |
| C7 | C8 | H8 | 120.0° | 120.0° |
| C9 | C10 | C5 | 121.2° | 119.9° |
| C9 | C10 | H9 | 119.4° | 120.1° |
| C7 | C6 | C5 | 118.9° | 119.9° |
| C7 | C6 | H6 | 120.6° | 120.1° |
| C6 | C7 | H7 | 119.4° | 119.9° |
| C10 | C5 | C6 | 119.9° | 119.8° |
| C10 | C5 | N2 | 120.2° | 120.1° |
| C5 | C10 | H9 | 119.4° | 120.0° |
| C6 | C5 | N2 | 119.9° | 120.1° |
| C5 | C6 | H6 | 120.5° | 120.0° |
| C5 | N2 | C4 | 126.3° | 126.5° |
| C5 | N2 | C2 | 127.8° | 126.5° |
| N2 | C4 | C3 | 106.0° | 106.8° |
| C4 | N2 | C2 | 105.9° | 107.0° |
| N2 | C4 | H5 | 127.0° | 126.6° |
| C4 | C3 | N1 | 111.0° | 108.2° |
| C4 | C3 | H4 | 124.5° | 125.9° |
| C3 | C4 | H5 | 127.0° | 126.6° |
| N2 | C2 | C1 | 123.3° | 125.7° |
| N2 | C2 | N1 | 111.5° | 108.6° |
| C3 | N1 | C2 | 105.4° | 109.4° |
| N1 | C3 | H4 | 124.5° | 125.9° |
| C1 | C2 | N1 | 125.1° | 125.7° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H12 | N3 | H13 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C11 | C9 | H10 | 120.6° | 120.0° |
| N3 | C11 | C9 | H11 | 120.6° | 120.0° |
| N3 | C11 | C9 | C8 | 76.2° | 90.1° |
| N3 | C11 | C9 | C10 | 106.6° | 89.8° |
| N3 | C11 | H10 | H11 | 118.1° | 120.0° |
| C11 | N3 | H12 | H13 | 120.0° | 124.0° |
| C11 | C9 | C8 | C10 | 177.2° | 179.9° |
| C11 | C9 | C8 | C7 | 176.9° | 180.0° |
| C11 | C9 | C10 | C5 | 176.7° | 179.7° |
| C11 | C9 | C8 | H8 | 3.1° | 0.2° |
| C11 | C9 | C10 | H9 | 3.3° | 0.1° |
| C9 | C11 | H10 | H11 | 118.1° | 120.1° |
| C9 | C11 | N3 | H12 | 180.0° | 56.0° |
| C9 | C11 | N3 | H13 | 60.0° | 180.0° |
| C9 | C8 | C7 | H8 | 180.0° | 179.8° |
| C9 | C8 | C7 | C6 | 0.2° | 0.1° |
| C8 | C9 | C10 | C5 | 0.5° | 0.4° |
| C9 | C8 | C7 | H7 | 179.8° | 180.0° |
| C8 | C9 | C10 | H9 | 179.5° | 180.0° |
| C8 | C9 | C11 | H10 | 163.1° | 150.0° |
| C8 | C9 | C11 | H11 | 44.4° | 29.9° |
| C7 | C8 | C9 | C10 | 0.3° | 0.2° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.5° | 0.0° |
| C8 | C7 | C6 | H6 | 179.5° | 179.9° |
| C9 | C10 | C5 | H9 | 180.0° | 179.6° |
| C9 | C10 | C5 | C6 | 0.2° | 0.5° |
| C9 | C10 | C5 | N2 | 178.0° | 179.8° |
| C10 | C9 | C8 | H8 | 179.7° | 180.0° |
| C10 | C9 | C11 | H10 | 14.0° | 30.2° |
| C10 | C9 | C11 | H11 | 132.8° | 150.2° |
| C7 | C6 | C5 | C10 | 0.3° | 0.3° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | N2 | 178.6° | 179.9° |
| C6 | C7 | C8 | H8 | 179.8° | 179.7° |
| C10 | C5 | C6 | N2 | 178.2° | 179.7° |
| C10 | C5 | N2 | C4 | 50.6° | 50.3° |
| C10 | C5 | N2 | C2 | 130.0° | 129.2° |
| C10 | C5 | C6 | H6 | 179.7° | 179.8° |
| C6 | C5 | N2 | C4 | 127.6° | 130.0° |
| C6 | C5 | N2 | C2 | 51.8° | 50.5° |
| C5 | C6 | C7 | H7 | 179.5° | 179.9° |
| C6 | C5 | C10 | H9 | 179.8° | 179.9° |
| C5 | N2 | C4 | C2 | 179.5° | 179.6° |
| C5 | N2 | C4 | C3 | 179.5° | 180.0° |
| C5 | N2 | C2 | C1 | 0.2° | 0.3° |
| C5 | N2 | C2 | N1 | 179.2° | 180.0° |
| C5 | N2 | C4 | H5 | 0.5° | 0.4° |
| N2 | C5 | C6 | H6 | 1.5° | 0.1° |
| N2 | C5 | C10 | H9 | 2.0° | 0.3° |
| N2 | C4 | C3 | H5 | 180.0° | 179.6° |
| N2 | C4 | C3 | N1 | 1.2° | 0.2° |
| C4 | N2 | C2 | C1 | 179.7° | 179.9° |
| C4 | N2 | C2 | N1 | 1.3° | 0.4° |
| N2 | C4 | C3 | H4 | 178.8° | 179.8° |
| C3 | C4 | N2 | C2 | 0.0° | 0.4° |
| C4 | C3 | N1 | H4 | 180.0° | 180.0° |
| C4 | C3 | N1 | C2 | 2.0° | 0.0° |
| N2 | C2 | N1 | C3 | 2.0° | 0.3° |
| N2 | C2 | C1 | N1 | 178.9° | 179.6° |
| N2 | C2 | C1 | H1 | 178.9° | 90.3° |
| N2 | C2 | C1 | H2 | 61.1° | 29.7° |
| N2 | C2 | C1 | H3 | 58.9° | 149.7° |
| C2 | N2 | C4 | H5 | 180.0° | 180.0° |
| C3 | N1 | C2 | C1 | 179.1° | 180.0° |
| N1 | C3 | C4 | H5 | 178.8° | 179.8° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | C2 | C1 | H1 | 0.0° | 90.1° |
| N1 | C2 | C1 | H2 | 120.0° | 149.9° |
| N1 | C2 | C1 | H3 | 120.0° | 30.0° |
| C2 | N1 | C3 | H4 | 178.0° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 1.2° | 0.2° |
| H6 | C6 | C7 | H7 | 0.5° | 0.0° |
| H7 | C7 | C8 | H8 | 0.2° | 0.2° |
| H10 | C11 | N3 | H12 | 59.4° | 64.0° |
| H10 | C11 | N3 | H13 | 60.6° | 60.0° |
| H11 | C11 | N3 | H12 | 59.4° | 176.0° |
| H11 | C11 | N3 | H13 | 179.4° | 60.0° |
