09O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | N1 | sing | 1.48Å | 1.48Å | |
| C4 | C5 | sing | 1.54Å | 1.54Å | |
| N1 | C2 | sing | 1.40Å | 1.49Å | |
| C5 | N2 | sing | 1.48Å | 1.47Å | |
| C2 | C1 | sing | 1.54Å | 1.55Å | |
| N2 | C1 | sing | 1.45Å | 1.47Å | |
| N2 | C8 | sing | 1.40Å | 1.37Å | |
| C9 | C8 | doub | 1.39Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 1.01Å | 1.00Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| C7 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | N1 | 111.8° | 108.5° |
| C3 | C4 | C5 | 112.2° | 112.1° |
| C4 | C3 | H7 | 108.7° | 109.6° |
| C4 | C3 | H8 | 108.7° | 109.6° |
| C3 | C4 | H9 | 108.6° | 108.9° |
| C3 | C4 | H10 | 108.6° | 109.0° |
| C3 | N1 | C2 | 116.0° | 114.0° |
| C3 | N1 | H5 | 107.4° | 111.0° |
| N1 | C3 | H7 | 108.7° | 109.6° |
| N1 | C3 | H8 | 108.7° | 109.6° |
| C4 | C5 | N2 | 111.9° | 112.6° |
| C5 | C4 | H9 | 108.6° | 108.9° |
| C5 | C4 | H10 | 108.6° | 109.0° |
| C4 | C5 | H11 | 108.7° | 109.0° |
| C4 | C5 | H12 | 108.7° | 108.9° |
| N1 | C2 | C1 | 115.1° | 112.1° |
| N1 | C2 | H3 | 107.6° | 109.0° |
| N1 | C2 | H4 | 107.6° | 108.9° |
| C2 | N1 | H5 | 107.4° | 111.0° |
| C5 | N2 | C1 | 117.1° | 113.8° |
| C5 | N2 | C8 | 122.8° | 111.0° |
| N2 | C5 | H11 | 108.6° | 108.8° |
| N2 | C5 | H12 | 108.7° | 108.8° |
| C2 | C1 | N2 | 115.4° | 108.9° |
| C2 | C1 | H1 | 107.5° | 109.6° |
| C2 | C1 | H2 | 107.6° | 109.6° |
| C1 | C2 | H3 | 107.7° | 109.0° |
| C1 | C2 | H4 | 107.6° | 108.9° |
| C1 | N2 | C8 | 120.0° | 111.2° |
| N2 | C1 | H1 | 107.5° | 109.6° |
| N2 | C1 | H2 | 107.5° | 109.5° |
| N2 | C8 | C9 | 122.7° | 120.5° |
| N2 | C8 | C7 | 121.0° | 120.5° |
| C8 | C9 | C10 | 119.9° | 118.4° |
| C9 | C8 | C7 | 116.3° | 119.0° |
| C8 | C9 | H15 | 120.1° | 120.8° |
| C9 | C10 | C6 | 118.3° | 119.2° |
| C10 | C9 | H15 | 120.0° | 120.8° |
| C9 | C10 | H16 | 120.8° | 120.4° |
| C8 | C7 | N3 | 124.1° | 120.6° |
| C8 | C7 | H14 | 117.9° | 119.7° |
| C10 | C6 | N3 | 123.2° | 120.9° |
| C10 | C6 | H13 | 118.4° | 119.5° |
| C6 | C10 | H16 | 120.9° | 120.4° |
| C7 | N3 | C6 | 118.1° | 121.8° |
| N3 | C7 | H14 | 118.0° | 119.7° |
| N3 | C6 | H13 | 118.4° | 119.5° |
| H1 | C1 | H2 | 111.3° | 109.6° |
| H3 | C2 | H4 | 111.3° | 108.9° |
| H7 | C3 | H8 | 110.2° | 109.9° |
| H9 | C4 | H10 | 110.3° | 108.9° |
| H11 | C5 | H12 | 110.3° | 108.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | N1 | H7 | 120.0° | 119.7° |
| C4 | C3 | N1 | H8 | 120.0° | 119.6° |
| C3 | C4 | C5 | H9 | 120.0° | 120.6° |
| C3 | C4 | C5 | H10 | 120.0° | 120.7° |
| C4 | C3 | N1 | C2 | 80.1° | 79.9° |
| C3 | C4 | C5 | N2 | 73.7° | 41.6° |
| C4 | C3 | N1 | H5 | 159.8° | 46.3° |
| C4 | C3 | H7 | H8 | 119.0° | 120.5° |
| C3 | C4 | H9 | H10 | 118.9° | 118.7° |
| C3 | C4 | C5 | H11 | 166.4° | 79.3° |
| C3 | C4 | C5 | H12 | 46.3° | 162.2° |
| N1 | C3 | C4 | C5 | 60.1° | 92.6° |
| C3 | N1 | C2 | H5 | 120.0° | 126.2° |
| C3 | N1 | C2 | C1 | 83.5° | 61.8° |
| C3 | N1 | C2 | H3 | 36.5° | 58.9° |
| C3 | N1 | C2 | H4 | 156.5° | 177.6° |
| N1 | C3 | H7 | H8 | 119.0° | 120.5° |
| N1 | C3 | C4 | H9 | 59.9° | 146.8° |
| N1 | C3 | C4 | H10 | 179.9° | 28.1° |
| C4 | C5 | N2 | H11 | 120.0° | 120.9° |
| C4 | C5 | N2 | H12 | 120.0° | 120.7° |
| C4 | C5 | N2 | C1 | 91.2° | 41.5° |
| C4 | C5 | N2 | C8 | 93.8° | 167.8° |
| C5 | C4 | C3 | H7 | 59.9° | 27.1° |
| C5 | C4 | C3 | H8 | 179.9° | 147.8° |
| C5 | C4 | H9 | H10 | 118.9° | 118.7° |
| C4 | C5 | H11 | H12 | 119.0° | 118.6° |
| N1 | C2 | C1 | H3 | 120.0° | 120.7° |
| N1 | C2 | C1 | H4 | 120.0° | 120.6° |
| N1 | C2 | C1 | N2 | 26.6° | 78.9° |
| N1 | C2 | C1 | H1 | 146.6° | 41.0° |
| N1 | C2 | C1 | H2 | 93.4° | 161.3° |
| N1 | C2 | H3 | H4 | 117.7° | 118.7° |
| C2 | N1 | C3 | H7 | 39.9° | 39.8° |
| C2 | N1 | C3 | H8 | 159.9° | 160.4° |
| C5 | N2 | C1 | C2 | 48.4° | 94.1° |
| C5 | N2 | C1 | C8 | 175.2° | 126.2° |
| C5 | N2 | C8 | C9 | 27.7° | 180.0° |
| C5 | N2 | C8 | C7 | 153.4° | 0.0° |
| C5 | N2 | C1 | H1 | 71.5° | 25.8° |
| C5 | N2 | C1 | H2 | 168.5° | 146.1° |
| N2 | C5 | C4 | H9 | 46.3° | 162.1° |
| N2 | C5 | C4 | H10 | 166.3° | 79.1° |
| N2 | C5 | H11 | H12 | 119.0° | 118.3° |
| C2 | C1 | N2 | H1 | 120.0° | 119.9° |
| C2 | C1 | N2 | H2 | 120.0° | 119.8° |
| C2 | C1 | N2 | C8 | 136.4° | 139.7° |
| C2 | C1 | H1 | H2 | 117.6° | 120.3° |
| C1 | C2 | H3 | H4 | 117.7° | 118.7° |
| C1 | C2 | N1 | H5 | 156.5° | 64.4° |
| C1 | N2 | C8 | C9 | 157.4° | 52.3° |
| C1 | N2 | C8 | C7 | 21.5° | 127.7° |
| N2 | C1 | H1 | H2 | 117.5° | 120.2° |
| N2 | C1 | C2 | H3 | 93.4° | 41.8° |
| N2 | C1 | C2 | H4 | 146.6° | 160.5° |
| C1 | N2 | C5 | H11 | 148.8° | 162.4° |
| C1 | N2 | C5 | H12 | 28.8° | 79.3° |
| N2 | C8 | C9 | C7 | 179.0° | 180.0° |
| N2 | C8 | C9 | C10 | 178.9° | 179.8° |
| N2 | C8 | C7 | N3 | 179.1° | 180.0° |
| C8 | N2 | C1 | H1 | 103.6° | 100.4° |
| C8 | N2 | C1 | H2 | 16.4° | 19.9° |
| C8 | N2 | C5 | H11 | 26.2° | 71.3° |
| C8 | N2 | C5 | H12 | 146.2° | 47.0° |
| N2 | C8 | C7 | H14 | 0.9° | 0.1° |
| N2 | C8 | C9 | H15 | 1.1° | 0.0° |
| C8 | C9 | C10 | H15 | 180.0° | 179.8° |
| C8 | C9 | C10 | C6 | 0.1° | 0.5° |
| C9 | C8 | C7 | N3 | 0.1° | 0.0° |
| C9 | C8 | C7 | H14 | 179.9° | 180.0° |
| C8 | C9 | C10 | H16 | 179.9° | 180.0° |
| C10 | C9 | C8 | C7 | 0.1° | 0.3° |
| C9 | C10 | C6 | H16 | 180.0° | 179.5° |
| C9 | C10 | C6 | N3 | 0.4° | 0.5° |
| C9 | C10 | C6 | H13 | 179.5° | 179.7° |
| C8 | C7 | N3 | H14 | 180.0° | 179.9° |
| C8 | C7 | N3 | C6 | 0.5° | 0.0° |
| C7 | C8 | C9 | H15 | 179.9° | 180.0° |
| C10 | C6 | N3 | C7 | 0.6° | 0.2° |
| C10 | C6 | N3 | H13 | 180.0° | 179.8° |
| C6 | C10 | C9 | H15 | 179.9° | 179.8° |
| C7 | N3 | C6 | H13 | 179.3° | 180.0° |
| C6 | N3 | C7 | H14 | 179.6° | 180.0° |
| N3 | C6 | C10 | H16 | 179.6° | 180.0° |
| H1 | C1 | C2 | H3 | 26.6° | 161.7° |
| H1 | C1 | C2 | H4 | 93.4° | 79.6° |
| H2 | C1 | C2 | H3 | 146.6° | 78.0° |
| H2 | C1 | C2 | H4 | 26.6° | 40.7° |
| H3 | C2 | N1 | H5 | 83.5° | 174.9° |
| H4 | C2 | N1 | H5 | 36.5° | 56.2° |
| H5 | N1 | C3 | H7 | 80.1° | 166.0° |
| H5 | N1 | C3 | H8 | 39.8° | 73.4° |
| H7 | C3 | C4 | H9 | 179.9° | 93.5° |
| H7 | C3 | C4 | H10 | 60.1° | 147.8° |
| H8 | C3 | C4 | H9 | 60.1° | 27.2° |
| H8 | C3 | C4 | H10 | 59.9° | 91.5° |
| H9 | C4 | C5 | H11 | 73.6° | 41.3° |
| H9 | C4 | C5 | H12 | 166.3° | 77.2° |
| H10 | C4 | C5 | H11 | 46.4° | 160.0° |
| H10 | C4 | C5 | H12 | 73.7° | 41.5° |
| H13 | C6 | C10 | H16 | 0.5° | 0.2° |
| H15 | C9 | C10 | H16 | 0.1° | 0.2° |
