N1X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.53Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.46Å | |
| C11 | O12 | sing | 1.43Å | 1.46Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| O12 | C7 | sing | 1.43Å | 1.45Å | |
| C7 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.35Å | 1.40Å | Aromatic |
| C4 | O3 | sing | 1.34Å | 1.31Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
| O3 | C2 | sing | 1.34Å | 1.30Å | Aromatic |
| C6 | C2 | doub | 1.35Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 116.1° | 109.2° |
| C10 | C9 | C8 | 112.8° | 109.0° |
| C10 | C9 | H9 | 108.7° | 109.5° |
| C10 | C9 | H10 | 108.6° | 109.6° |
| C9 | C10 | H11 | 107.8° | 109.5° |
| C9 | C10 | H12 | 107.8° | 109.6° |
| C10 | C11 | O12 | 115.3° | 109.5° |
| C11 | C10 | H11 | 107.8° | 109.5° |
| C11 | C10 | H12 | 107.8° | 109.5° |
| C10 | C11 | H13 | 108.0° | 109.5° |
| C10 | C11 | H14 | 108.0° | 109.5° |
| C9 | C8 | C7 | 108.8° | 109.2° |
| C9 | C8 | H7 | 109.6° | 109.5° |
| C9 | C8 | H8 | 109.7° | 109.5° |
| C8 | C9 | H9 | 108.6° | 109.5° |
| C8 | C9 | H10 | 108.7° | 109.6° |
| C11 | O12 | C7 | 111.7° | 114.1° |
| O12 | C11 | H13 | 108.0° | 109.5° |
| O12 | C11 | H14 | 108.0° | 109.4° |
| C8 | C7 | O12 | 110.7° | 109.4° |
| C8 | C7 | C4 | 109.7° | 109.5° |
| C8 | C7 | H6 | 108.8° | 109.5° |
| C7 | C8 | H7 | 109.7° | 109.5° |
| C7 | C8 | H8 | 109.6° | 109.5° |
| O12 | C7 | C4 | 109.1° | 109.5° |
| O12 | C7 | H6 | 109.7° | 109.5° |
| C7 | C4 | C5 | 125.4° | 125.8° |
| C7 | C4 | O3 | 124.8° | 125.8° |
| C4 | C7 | H6 | 108.9° | 109.5° |
| C5 | C4 | O3 | 109.8° | 108.5° |
| C4 | C5 | C6 | 104.5° | 106.8° |
| C4 | C5 | H4 | 127.8° | 126.6° |
| C4 | O3 | C2 | 111.4° | 109.5° |
| C5 | C6 | C2 | 105.1° | 106.9° |
| C6 | C5 | H4 | 127.7° | 126.6° |
| C5 | C6 | H5 | 127.5° | 126.6° |
| O3 | C2 | C6 | 109.3° | 108.4° |
| O3 | C2 | C1 | 125.3° | 125.8° |
| C6 | C2 | C1 | 125.5° | 125.8° |
| C2 | C6 | H5 | 127.4° | 126.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.4° | 109.5° |
| H9 | C9 | H10 | 109.4° | 109.5° |
| H11 | C10 | H12 | 109.4° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H11 | 121.0° | 119.9° |
| C9 | C10 | C11 | H12 | 121.0° | 120.0° |
| C10 | C9 | C8 | H9 | 120.5° | 119.8° |
| C10 | C9 | C8 | H10 | 120.5° | 119.9° |
| C9 | C10 | C11 | O12 | 45.3° | 57.6° |
| C10 | C9 | C8 | C7 | 37.4° | 57.0° |
| C10 | C9 | C8 | H7 | 157.4° | 63.0° |
| C10 | C9 | C8 | H8 | 82.5° | 176.9° |
| C10 | C9 | H9 | H10 | 118.5° | 120.2° |
| C9 | C10 | H11 | H12 | 117.0° | 120.2° |
| C9 | C10 | C11 | H13 | 75.5° | 177.6° |
| C9 | C10 | C11 | H14 | 166.2° | 62.4° |
| C11 | C10 | C9 | C8 | 16.7° | 57.0° |
| C10 | C11 | O12 | H13 | 120.8° | 120.0° |
| C10 | C11 | O12 | H14 | 120.8° | 120.0° |
| C10 | C11 | O12 | C7 | 12.6° | 61.1° |
| C11 | C10 | C9 | H9 | 137.2° | 176.8° |
| C11 | C10 | C9 | H10 | 103.8° | 63.0° |
| C11 | C10 | H11 | H12 | 117.0° | 120.1° |
| C10 | C11 | H13 | H14 | 117.3° | 120.0° |
| C9 | C8 | C7 | H7 | 119.9° | 120.0° |
| C9 | C8 | C7 | H8 | 119.9° | 119.9° |
| C9 | C8 | C7 | O12 | 71.6° | 57.6° |
| C9 | C8 | C7 | C4 | 168.1° | 177.6° |
| C9 | C8 | C7 | H6 | 49.0° | 62.4° |
| C9 | C8 | H7 | H8 | 120.3° | 120.1° |
| C8 | C9 | H9 | H10 | 118.5° | 120.2° |
| C8 | C9 | C10 | H11 | 137.6° | 62.9° |
| C8 | C9 | C10 | H12 | 104.3° | 176.9° |
| C11 | O12 | C7 | C8 | 42.5° | 61.1° |
| C11 | O12 | C7 | C4 | 163.3° | 178.9° |
| C11 | O12 | C7 | H6 | 77.5° | 58.9° |
| O12 | C11 | C10 | H11 | 166.3° | 62.3° |
| O12 | C11 | C10 | H12 | 75.7° | 177.5° |
| O12 | C11 | H13 | H14 | 117.4° | 120.0° |
| C8 | C7 | O12 | C4 | 120.7° | 120.0° |
| C8 | C7 | O12 | H6 | 120.1° | 120.0° |
| C8 | C7 | C4 | H6 | 119.0° | 120.0° |
| C8 | C7 | C4 | C5 | 7.5° | 95.0° |
| C8 | C7 | C4 | O3 | 172.3° | 85.0° |
| C7 | C8 | H7 | H8 | 120.3° | 120.1° |
| C7 | C8 | C9 | H9 | 83.1° | 176.8° |
| C7 | C8 | C9 | H10 | 157.9° | 62.9° |
| O12 | C7 | C4 | H6 | 119.6° | 120.1° |
| O12 | C7 | C4 | C5 | 128.9° | 145.0° |
| O12 | C7 | C4 | O3 | 50.9° | 35.0° |
| O12 | C7 | C8 | H7 | 168.5° | 62.4° |
| O12 | C7 | C8 | H8 | 48.3° | 177.5° |
| C7 | O12 | C11 | H13 | 108.2° | 178.9° |
| C7 | O12 | C11 | H14 | 133.4° | 58.9° |
| C7 | C4 | C5 | O3 | 179.8° | 180.0° |
| C7 | C4 | C5 | C6 | 179.7° | 179.9° |
| C7 | C4 | O3 | C2 | 179.6° | 179.9° |
| C7 | C4 | C5 | H4 | 0.3° | 0.0° |
| C4 | C7 | C8 | H7 | 48.2° | 57.7° |
| C4 | C7 | C8 | H8 | 72.0° | 62.4° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C5 | C4 | O3 | C2 | 0.2° | 0.1° |
| C4 | C5 | C6 | C2 | 0.1° | 0.2° |
| C4 | C5 | C6 | H5 | 179.9° | 179.9° |
| C5 | C4 | C7 | H6 | 111.5° | 24.9° |
| O3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | O3 | C2 | C6 | 0.3° | 0.2° |
| C4 | O3 | C2 | C1 | 179.9° | 180.0° |
| O3 | C4 | C5 | H4 | 179.9° | 180.0° |
| O3 | C4 | C7 | H6 | 68.7° | 155.0° |
| C5 | C6 | C2 | O3 | 0.2° | 0.2° |
| C5 | C6 | C2 | H5 | 180.0° | 180.0° |
| C5 | C6 | C2 | C1 | 179.9° | 180.0° |
| O3 | C2 | C6 | C1 | 179.9° | 179.8° |
| O3 | C2 | C1 | H1 | 0.0° | 90.3° |
| O3 | C2 | C1 | H2 | 120.0° | 29.8° |
| O3 | C2 | C1 | H3 | 120.0° | 149.8° |
| O3 | C2 | C6 | H5 | 179.8° | 179.8° |
| C6 | C2 | C1 | H1 | 179.8° | 89.9° |
| C6 | C2 | C1 | H2 | 59.8° | 150.0° |
| C6 | C2 | C1 | H3 | 60.2° | 30.0° |
| C2 | C6 | C5 | H4 | 179.9° | 179.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | C2 | C6 | H5 | 0.1° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C5 | C6 | H5 | 0.1° | 0.0° |
| H6 | C7 | C8 | H7 | 70.9° | 177.7° |
| H6 | C7 | C8 | H8 | 168.9° | 57.6° |
| H7 | C8 | C9 | H9 | 36.8° | 56.9° |
| H7 | C8 | C9 | H10 | 82.2° | 177.1° |
| H8 | C8 | C9 | H9 | 157.0° | 63.2° |
| H8 | C8 | C9 | H10 | 38.0° | 57.0° |
| H9 | C9 | C10 | H11 | 101.9° | 56.9° |
| H9 | C9 | C10 | H12 | 16.2° | 63.2° |
| H10 | C9 | C10 | H11 | 17.1° | 177.1° |
| H10 | C9 | C10 | H12 | 135.2° | 57.0° |
| H11 | C10 | C11 | H13 | 45.5° | 57.7° |
| H11 | C10 | C11 | H14 | 72.8° | 177.7° |
| H12 | C10 | C11 | H13 | 163.5° | 62.4° |
| H12 | C10 | C11 | H14 | 45.2° | 57.6° |
