49N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N16 | C14 | sing | 1.47Å | 1.49Å | |
| N16 | C15 | sing | 1.47Å | 1.47Å | |
| C14 | C7 | sing | 1.53Å | 1.52Å | |
| C15 | C8 | sing | 1.53Å | 1.54Å | |
| F13 | C6 | sing | 1.40Å | 1.35Å | |
| C7 | N3 | sing | 1.47Å | 1.46Å | |
| C8 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C1 | sing | 1.39Å | 1.44Å | |
| F12 | C6 | sing | 1.40Å | 1.35Å | |
| C6 | F11 | sing | 1.40Å | 1.34Å | |
| C6 | C2 | sing | 1.51Å | 1.49Å | |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| N4 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| N16 | H12 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N16 | C15 | 113.9° | 110.9° |
| N16 | C14 | C7 | 112.9° | 109.4° |
| N16 | C14 | H4 | 108.6° | 109.5° |
| N16 | C14 | H5 | 108.6° | 109.5° |
| C14 | N16 | H12 | 108.3° | 111.0° |
| N16 | C15 | C8 | 112.5° | 109.3° |
| N16 | C15 | H6 | 108.7° | 109.5° |
| N16 | C15 | H7 | 108.7° | 109.5° |
| C15 | N16 | H12 | 108.4° | 111.0° |
| C14 | C7 | N3 | 105.0° | 109.4° |
| C7 | C14 | H4 | 108.6° | 109.5° |
| C7 | C14 | H5 | 108.6° | 109.5° |
| C14 | C7 | H8 | 110.6° | 109.5° |
| C14 | C7 | H9 | 110.6° | 109.5° |
| C15 | C8 | N3 | 109.0° | 109.4° |
| C8 | C15 | H6 | 108.7° | 109.5° |
| C8 | C15 | H7 | 108.7° | 109.5° |
| C15 | C8 | H10 | 109.6° | 109.4° |
| C15 | C8 | H11 | 109.6° | 109.5° |
| F13 | C6 | F12 | 101.9° | 109.5° |
| F13 | C6 | F11 | 106.5° | 109.5° |
| F13 | C6 | C2 | 116.4° | 109.4° |
| C7 | N3 | C8 | 110.7° | 110.9° |
| C7 | N3 | C1 | 114.9° | 111.0° |
| N3 | C7 | H8 | 110.6° | 109.5° |
| N3 | C7 | H9 | 110.6° | 109.5° |
| C8 | N3 | C1 | 115.7° | 111.0° |
| N3 | C8 | H10 | 109.6° | 109.5° |
| N3 | C8 | H11 | 109.6° | 109.5° |
| N3 | C1 | C2 | 119.5° | 119.7° |
| N3 | C1 | N4 | 120.4° | 119.7° |
| F12 | C6 | F11 | 105.9° | 109.5° |
| F12 | C6 | C2 | 115.0° | 109.5° |
| F11 | C6 | C2 | 110.3° | 109.4° |
| C6 | C2 | C1 | 122.7° | 120.4° |
| C6 | C2 | C5 | 116.8° | 120.4° |
| C2 | C1 | N4 | 120.1° | 120.6° |
| C1 | C2 | C5 | 120.5° | 119.1° |
| C1 | N4 | C9 | 118.3° | 121.6° |
| C2 | C5 | C10 | 119.6° | 118.5° |
| C2 | C5 | H2 | 120.2° | 120.8° |
| N4 | C9 | C10 | 125.0° | 120.9° |
| N4 | C9 | H3 | 117.5° | 119.6° |
| C5 | C10 | C9 | 116.6° | 119.4° |
| C5 | C10 | H1 | 121.7° | 120.3° |
| C10 | C5 | H2 | 120.2° | 120.7° |
| C9 | C10 | H1 | 121.7° | 120.3° |
| C10 | C9 | H3 | 117.5° | 119.6° |
| H4 | C14 | H5 | 109.4° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | N16 | C15 | H12 | 120.6° | 123.9° |
| N16 | C14 | C7 | H4 | 120.5° | 120.0° |
| N16 | C14 | C7 | H5 | 120.5° | 120.0° |
| C14 | N16 | C15 | C8 | 43.3° | 59.3° |
| N16 | C14 | C7 | N3 | 58.1° | 58.4° |
| N16 | C14 | H4 | H5 | 118.4° | 120.1° |
| C14 | N16 | C15 | H6 | 77.2° | 179.2° |
| C14 | N16 | C15 | H7 | 163.8° | 60.7° |
| N16 | C14 | C7 | H8 | 61.1° | 61.6° |
| N16 | C14 | C7 | H9 | 177.4° | 178.4° |
| C15 | N16 | C14 | C7 | 48.2° | 59.3° |
| N16 | C15 | C8 | H6 | 120.4° | 119.9° |
| N16 | C15 | C8 | H7 | 120.5° | 120.0° |
| N16 | C15 | C8 | N3 | 50.8° | 58.4° |
| C15 | N16 | C14 | H4 | 168.8° | 60.7° |
| C15 | N16 | C14 | H5 | 72.3° | 179.3° |
| N16 | C15 | H6 | H7 | 118.6° | 120.0° |
| N16 | C15 | C8 | H10 | 170.8° | 178.4° |
| N16 | C15 | C8 | H11 | 69.1° | 61.6° |
| C14 | C7 | N3 | H8 | 119.3° | 120.0° |
| C14 | C7 | N3 | H9 | 119.3° | 120.0° |
| C14 | C7 | N3 | C8 | 68.0° | 59.3° |
| C14 | C7 | N3 | C1 | 158.7° | 176.8° |
| C7 | C14 | H4 | H5 | 118.4° | 120.0° |
| C14 | C7 | H8 | H9 | 122.1° | 120.0° |
| C7 | C14 | N16 | H12 | 168.9° | 176.8° |
| C15 | C8 | N3 | C7 | 65.5° | 59.4° |
| C15 | C8 | N3 | H10 | 119.9° | 119.9° |
| C15 | C8 | N3 | H11 | 119.9° | 120.0° |
| C15 | C8 | N3 | C1 | 161.6° | 176.8° |
| C8 | C15 | H6 | H7 | 118.6° | 120.1° |
| C15 | C8 | H10 | H11 | 120.2° | 120.0° |
| C8 | C15 | N16 | H12 | 163.9° | 176.8° |
| F13 | C6 | F12 | F11 | 111.2° | 120.1° |
| F13 | C6 | F12 | C2 | 126.8° | 120.0° |
| F13 | C6 | F11 | C2 | 127.2° | 119.9° |
| F13 | C6 | C2 | C1 | 34.9° | 60.0° |
| F13 | C6 | C2 | C5 | 146.2° | 120.0° |
| C7 | N3 | C8 | C1 | 132.9° | 123.9° |
| C7 | N3 | C1 | C2 | 73.6° | 118.0° |
| C7 | N3 | C1 | N4 | 107.0° | 61.8° |
| N3 | C7 | C14 | H4 | 178.7° | 61.6° |
| N3 | C7 | C14 | H5 | 62.4° | 178.4° |
| N3 | C7 | H8 | H9 | 122.1° | 120.1° |
| C7 | N3 | C8 | H10 | 174.5° | 179.2° |
| C7 | N3 | C8 | H11 | 54.4° | 60.6° |
| C8 | N3 | C1 | C2 | 155.4° | 118.2° |
| C8 | N3 | C1 | N4 | 24.0° | 62.0° |
| N3 | C8 | C15 | H6 | 69.6° | 178.3° |
| N3 | C8 | C15 | H7 | 171.3° | 61.5° |
| C8 | N3 | C7 | H8 | 51.3° | 60.6° |
| C8 | N3 | C7 | H9 | 172.7° | 179.3° |
| N3 | C8 | H10 | H11 | 120.2° | 120.1° |
| N3 | C1 | C2 | C6 | 0.7° | 0.0° |
| N3 | C1 | C2 | N4 | 179.4° | 179.7° |
| N3 | C1 | C2 | C5 | 179.6° | 180.0° |
| N3 | C1 | N4 | C9 | 179.9° | 179.9° |
| C1 | N3 | C7 | H8 | 82.0° | 63.2° |
| C1 | N3 | C7 | H9 | 39.4° | 56.8° |
| C1 | N3 | C8 | H10 | 41.6° | 56.9° |
| C1 | N3 | C8 | H11 | 78.5° | 63.2° |
| F12 | C6 | F11 | C2 | 124.9° | 120.0° |
| F12 | C6 | C2 | C1 | 84.1° | 60.0° |
| F12 | C6 | C2 | C5 | 94.8° | 119.9° |
| F11 | C6 | C2 | C1 | 156.3° | 180.0° |
| F11 | C6 | C2 | C5 | 24.7° | 0.0° |
| C6 | C2 | C1 | C5 | 178.9° | 180.0° |
| C6 | C2 | C1 | N4 | 179.9° | 179.7° |
| C6 | C2 | C5 | C10 | 179.4° | 180.0° |
| C6 | C2 | C5 | H2 | 0.6° | 0.0° |
| C2 | C1 | N4 | C9 | 0.5° | 0.3° |
| C1 | C2 | C5 | C10 | 0.5° | 0.0° |
| C1 | C2 | C5 | H2 | 179.5° | 180.0° |
| N4 | C1 | C2 | C5 | 1.0° | 0.3° |
| C1 | N4 | C9 | C10 | 0.6° | 0.1° |
| C1 | N4 | C9 | H3 | 179.4° | 180.0° |
| C2 | C5 | C10 | H2 | 180.0° | 180.0° |
| C2 | C5 | C10 | C9 | 0.5° | 0.3° |
| C2 | C5 | C10 | H1 | 179.5° | 179.9° |
| N4 | C9 | C10 | C5 | 1.1° | 0.2° |
| N4 | C9 | C10 | H3 | 180.0° | 179.9° |
| N4 | C9 | C10 | H1 | 178.9° | 180.0° |
| C5 | C10 | C9 | H1 | 180.0° | 179.8° |
| C5 | C10 | C9 | H3 | 178.9° | 179.7° |
| C9 | C10 | C5 | H2 | 179.5° | 179.8° |
| H1 | C10 | C5 | H2 | 0.5° | 0.0° |
| H1 | C10 | C9 | H3 | 1.1° | 0.1° |
| H4 | C14 | C7 | H8 | 59.4° | 178.4° |
| H4 | C14 | C7 | H9 | 62.0° | 58.4° |
| H4 | C14 | N16 | H12 | 70.6° | 63.3° |
| H5 | C14 | C7 | H8 | 178.4° | 58.4° |
| H5 | C14 | C7 | H9 | 56.9° | 61.6° |
| H5 | C14 | N16 | H12 | 48.4° | 56.8° |
| H6 | C15 | C8 | H10 | 50.4° | 61.7° |
| H6 | C15 | C8 | H11 | 170.5° | 58.3° |
| H6 | C15 | N16 | H12 | 43.5° | 56.8° |
| H7 | C15 | C8 | H10 | 68.7° | 58.4° |
| H7 | C15 | C8 | H11 | 51.4° | 178.4° |
| H7 | C15 | N16 | H12 | 75.6° | 63.2° |
