F2D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.37Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | N13 | sing | 1.38Å | 1.34Å | |
| C6 | C1 | sing | 1.41Å | 1.48Å | Aromatic |
| N13 | C18 | sing | 1.35Å | 1.35Å | |
| C1 | C20 | sing | 1.47Å | 1.49Å | |
| C18 | C23 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | doub | 1.35Å | 1.49Å | |
| C24 | C23 | sing | 1.51Å | 1.50Å | |
| C24 | C25 | doub | 1.31Å | 1.33Å | |
| C20 | O21 | doub | 1.22Å | 1.26Å | |
| C20 | C19 | sing | 1.41Å | 1.48Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C19 | C22 | sing | 1.51Å | 1.49Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| N13 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 121.0° | 120.7° |
| C4 | C3 | C2 | 121.6° | 120.5° |
| C4 | C3 | H3 | 119.2° | 119.7° |
| C3 | C4 | H4 | 119.5° | 119.7° |
| C4 | C5 | C6 | 119.6° | 119.7° |
| C5 | C4 | H4 | 119.5° | 119.7° |
| C4 | C5 | H5 | 120.2° | 120.1° |
| C3 | C2 | C1 | 119.3° | 119.7° |
| C3 | C2 | H2 | 120.3° | 120.1° |
| C2 | C3 | H3 | 119.2° | 119.8° |
| C5 | C6 | N13 | 119.4° | 121.2° |
| C5 | C6 | C1 | 118.9° | 119.3° |
| C6 | C5 | H5 | 120.2° | 120.1° |
| C2 | C1 | C6 | 119.5° | 120.1° |
| C2 | C1 | C20 | 121.3° | 121.5° |
| C1 | C2 | H2 | 120.3° | 120.2° |
| N13 | C6 | C1 | 121.7° | 119.5° |
| C6 | N13 | C18 | 122.6° | 121.6° |
| C6 | N13 | H1 | 118.7° | 119.2° |
| C6 | C1 | C20 | 119.3° | 118.4° |
| N13 | C18 | C23 | 118.9° | 118.8° |
| N13 | C18 | C19 | 121.6° | 122.5° |
| C18 | N13 | H1 | 118.7° | 119.2° |
| C1 | C20 | O21 | 123.1° | 121.1° |
| C1 | C20 | C19 | 115.7° | 117.8° |
| C23 | C18 | C19 | 119.5° | 118.7° |
| C18 | C23 | C24 | 110.0° | 109.5° |
| C18 | C23 | H231 | 109.4° | 109.4° |
| C18 | C23 | H23 | 109.4° | 109.5° |
| C18 | C19 | C20 | 119.2° | 120.1° |
| C18 | C19 | C22 | 121.3° | 120.0° |
| C23 | C24 | C25 | 119.3° | 120.0° |
| C24 | C23 | H231 | 109.3° | 109.4° |
| C24 | C23 | H23 | 109.3° | 109.5° |
| C23 | C24 | H24 | 120.4° | 119.9° |
| C24 | C25 | C26 | 119.1° | 120.0° |
| C25 | C24 | H24 | 120.3° | 120.0° |
| C24 | C25 | H25 | 120.5° | 120.0° |
| O21 | C20 | C19 | 121.2° | 121.1° |
| C20 | C19 | C22 | 119.4° | 120.0° |
| C26 | C27 | C28 | 107.7° | 109.5° |
| C27 | C26 | C25 | 109.4° | 109.5° |
| C27 | C26 | H26 | 109.5° | 109.5° |
| C27 | C26 | H261 | 109.5° | 109.5° |
| C26 | C27 | H27 | 109.9° | 109.5° |
| C26 | C27 | H271 | 109.9° | 109.5° |
| C27 | C28 | C29 | 112.0° | 109.5° |
| C28 | C27 | H27 | 109.9° | 109.5° |
| C28 | C27 | H271 | 109.9° | 109.5° |
| C27 | C28 | H28 | 108.8° | 109.5° |
| C27 | C28 | H281 | 108.8° | 109.5° |
| C26 | C25 | H25 | 120.4° | 120.0° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | C26 | H261 | 109.5° | 109.4° |
| C19 | C22 | H221 | 109.5° | 109.4° |
| C19 | C22 | H22 | 109.4° | 109.5° |
| C19 | C22 | H222 | 109.5° | 109.5° |
| C28 | C29 | C30 | 113.7° | 109.5° |
| C29 | C28 | H28 | 108.9° | 109.5° |
| C29 | C28 | H281 | 108.8° | 109.4° |
| C28 | C29 | H291 | 108.4° | 109.5° |
| C28 | C29 | H29 | 108.4° | 109.4° |
| C29 | C30 | C31 | 113.5° | 109.5° |
| C30 | C29 | H291 | 108.4° | 109.5° |
| C30 | C29 | H29 | 108.4° | 109.4° |
| C29 | C30 | H30 | 108.4° | 109.5° |
| C29 | C30 | H301 | 108.4° | 109.4° |
| C31 | C30 | H30 | 108.4° | 109.5° |
| C31 | C30 | H301 | 108.5° | 109.5° |
| C30 | C31 | H312 | 109.5° | 109.5° |
| C30 | C31 | H31 | 109.5° | 109.4° |
| C30 | C31 | H311 | 109.5° | 109.5° |
| H221 | C22 | H22 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H22 | C22 | H222 | 109.5° | 109.5° |
| H231 | C23 | H23 | 109.5° | 109.4° |
| H26 | C26 | H261 | 109.5° | 109.5° |
| H27 | C27 | H271 | 109.4° | 109.4° |
| H28 | C28 | H281 | 109.5° | 109.5° |
| H291 | C29 | H29 | 109.5° | 109.5° |
| H30 | C30 | H301 | 109.5° | 109.5° |
| H312 | C31 | H31 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.4° | 109.5° |
| H31 | C31 | H311 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C4 | C3 | C2 | H2 | 179.7° | 180.0° |
| C3 | C4 | C5 | H5 | 179.8° | 179.9° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | N13 | 179.6° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.5° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.4° | 0.2° |
| C3 | C2 | C1 | C20 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.5° |
| C5 | C6 | N13 | C1 | 179.5° | 179.4° |
| C5 | C6 | N13 | C18 | 179.8° | 180.0° |
| C5 | C6 | C1 | C20 | 179.8° | 179.7° |
| C6 | C5 | C4 | H4 | 179.8° | 179.8° |
| C5 | C6 | N13 | H1 | 0.2° | 0.0° |
| C2 | C1 | C6 | N13 | 179.3° | 179.9° |
| C2 | C1 | C6 | C20 | 179.6° | 179.8° |
| C2 | C1 | C20 | O21 | 0.6° | 0.0° |
| C2 | C1 | C20 | C19 | 179.6° | 180.0° |
| C1 | C2 | C3 | H3 | 179.7° | 180.0° |
| C6 | N13 | C18 | H1 | 180.0° | 179.9° |
| N13 | C6 | C1 | C20 | 0.3° | 0.3° |
| C6 | N13 | C18 | C23 | 179.2° | 179.9° |
| C6 | N13 | C18 | C19 | 0.0° | 0.9° |
| N13 | C6 | C5 | H5 | 0.4° | 0.3° |
| C1 | C6 | N13 | C18 | 0.3° | 0.6° |
| C6 | C1 | C20 | O21 | 179.7° | 179.7° |
| C6 | C1 | C20 | C19 | 0.0° | 0.2° |
| C6 | C1 | C2 | H2 | 179.6° | 179.8° |
| C1 | C6 | C5 | H5 | 179.9° | 179.7° |
| C1 | C6 | N13 | H1 | 179.7° | 179.5° |
| N13 | C18 | C23 | C19 | 179.2° | 179.2° |
| N13 | C18 | C23 | C24 | 70.0° | 84.1° |
| N13 | C18 | C19 | C20 | 0.3° | 0.8° |
| N13 | C18 | C19 | C22 | 179.5° | 179.1° |
| N13 | C18 | C23 | H231 | 50.1° | 35.8° |
| N13 | C18 | C23 | H23 | 169.9° | 155.8° |
| C1 | C20 | C19 | C18 | 0.2° | 0.5° |
| C1 | C20 | O21 | C19 | 179.8° | 179.9° |
| C1 | C20 | C19 | C22 | 179.5° | 179.4° |
| C20 | C1 | C2 | H2 | 0.0° | 0.0° |
| C18 | C23 | C24 | H231 | 120.1° | 119.9° |
| C18 | C23 | C24 | H23 | 120.1° | 120.1° |
| C18 | C23 | C24 | C25 | 93.9° | 125.0° |
| C23 | C18 | C19 | C20 | 179.4° | 180.0° |
| C23 | C18 | C19 | C22 | 1.3° | 0.1° |
| C18 | C23 | H231 | H23 | 119.8° | 120.0° |
| C18 | C23 | C24 | H24 | 86.1° | 55.0° |
| C23 | C18 | N13 | H1 | 0.8° | 0.0° |
| C19 | C18 | C23 | C24 | 110.8° | 95.1° |
| C18 | C19 | C20 | O21 | 180.0° | 179.5° |
| C18 | C19 | C20 | C22 | 179.2° | 179.9° |
| C18 | C19 | C22 | H221 | 180.0° | 90.0° |
| C18 | C19 | C22 | H22 | 60.0° | 150.0° |
| C18 | C19 | C22 | H222 | 60.0° | 29.9° |
| C19 | C18 | C23 | H231 | 129.1° | 145.0° |
| C19 | C18 | C23 | H23 | 9.3° | 25.0° |
| C19 | C18 | N13 | H1 | 180.0° | 179.2° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 179.6° | 180.0° |
| C24 | C23 | H231 | H23 | 119.8° | 120.0° |
| C23 | C24 | C25 | H25 | 0.4° | 0.0° |
| C24 | C25 | C26 | C27 | 60.7° | 125.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C25 | C24 | C23 | H231 | 146.0° | 5.0° |
| C25 | C24 | C23 | H23 | 26.2° | 114.9° |
| C24 | C25 | C26 | H26 | 59.2° | 115.0° |
| C24 | C25 | C26 | H261 | 179.3° | 5.0° |
| O21 | C20 | C19 | C22 | 0.7° | 0.6° |
| C20 | C19 | C22 | H221 | 0.8° | 90.1° |
| C20 | C19 | C22 | H22 | 119.3° | 29.9° |
| C20 | C19 | C22 | H222 | 120.8° | 150.0° |
| C26 | C27 | C28 | H27 | 119.7° | 120.0° |
| C26 | C27 | C28 | H271 | 119.7° | 120.0° |
| C27 | C26 | C25 | H26 | 120.0° | 120.0° |
| C27 | C26 | C25 | H261 | 120.0° | 120.0° |
| C26 | C27 | C28 | C29 | 147.5° | 180.0° |
| C27 | C26 | C25 | H25 | 119.3° | 55.0° |
| C27 | C26 | H26 | H261 | 120.0° | 120.0° |
| C26 | C27 | H27 | H271 | 120.8° | 119.9° |
| C26 | C27 | C28 | H28 | 27.1° | 60.0° |
| C26 | C27 | C28 | H281 | 92.2° | 60.0° |
| C28 | C27 | C26 | C25 | 104.7° | 180.0° |
| C27 | C28 | C29 | H28 | 120.4° | 120.0° |
| C27 | C28 | C29 | H281 | 120.4° | 120.0° |
| C27 | C28 | C29 | C30 | 175.3° | 180.0° |
| C28 | C27 | C26 | H26 | 135.3° | 60.0° |
| C28 | C27 | C26 | H261 | 15.2° | 60.0° |
| C28 | C27 | H27 | H271 | 120.8° | 120.0° |
| C27 | C28 | H28 | H281 | 118.9° | 120.0° |
| C27 | C28 | C29 | H291 | 64.1° | 60.0° |
| C27 | C28 | C29 | H29 | 54.6° | 60.1° |
| C26 | C25 | C24 | H24 | 0.4° | 0.0° |
| C25 | C26 | H26 | H261 | 120.0° | 119.9° |
| C25 | C26 | C27 | H27 | 135.5° | 60.0° |
| C25 | C26 | C27 | H271 | 15.0° | 60.0° |
| C19 | C22 | H221 | H22 | 120.0° | 120.0° |
| C19 | C22 | H221 | H222 | 120.0° | 120.0° |
| C19 | C22 | H22 | H222 | 120.0° | 120.1° |
| C28 | C29 | C30 | H291 | 120.6° | 120.1° |
| C28 | C29 | C30 | H29 | 120.6° | 119.9° |
| C28 | C29 | C30 | C31 | 15.1° | 180.0° |
| C29 | C28 | C27 | H27 | 92.8° | 60.0° |
| C29 | C28 | C27 | H271 | 27.7° | 60.0° |
| C29 | C28 | H28 | H281 | 118.9° | 119.9° |
| C28 | C29 | H291 | H29 | 118.0° | 120.0° |
| C28 | C29 | C30 | H30 | 135.7° | 59.9° |
| C28 | C29 | C30 | H301 | 105.5° | 60.0° |
| C29 | C30 | C31 | H30 | 120.6° | 120.0° |
| C29 | C30 | C31 | H301 | 120.6° | 120.0° |
| C30 | C29 | C28 | H28 | 54.9° | 59.9° |
| C30 | C29 | C28 | H281 | 64.3° | 60.0° |
| C30 | C29 | H291 | H29 | 118.1° | 120.0° |
| C29 | C30 | H30 | H301 | 118.1° | 119.9° |
| C29 | C30 | C31 | H312 | 180.0° | 60.0° |
| C29 | C30 | C31 | H31 | 60.0° | 60.1° |
| C29 | C30 | C31 | H311 | 60.0° | 180.0° |
| C31 | C30 | C29 | H291 | 105.5° | 59.9° |
| C31 | C30 | C29 | H29 | 135.7° | 60.1° |
| C31 | C30 | H30 | H301 | 118.2° | 120.0° |
| C30 | C31 | H312 | H31 | 120.0° | 120.0° |
| C30 | C31 | H312 | H311 | 120.0° | 120.0° |
| C30 | C31 | H31 | H311 | 120.0° | 119.9° |
| H2 | C2 | C3 | H3 | 0.3° | 0.0° |
| H3 | C3 | C4 | H4 | 0.0° | 0.1° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| H221 | C22 | H22 | H222 | 120.0° | 120.0° |
| H231 | C23 | C24 | H24 | 34.0° | 175.0° |
| H23 | C23 | C24 | H24 | 153.8° | 65.1° |
| H24 | C24 | C25 | H25 | 179.6° | 180.0° |
| H25 | C25 | C26 | H26 | 120.8° | 65.0° |
| H25 | C25 | C26 | H261 | 0.7° | 175.0° |
| H26 | C26 | C27 | H27 | 15.5° | 180.0° |
| H26 | C26 | C27 | H271 | 105.0° | 60.0° |
| H261 | C26 | C27 | H27 | 104.5° | 60.0° |
| H261 | C26 | C27 | H271 | 135.0° | 179.9° |
| H27 | C27 | C28 | H28 | 146.8° | 180.0° |
| H27 | C27 | C28 | H281 | 27.6° | 60.0° |
| H271 | C27 | C28 | H28 | 92.7° | 60.0° |
| H271 | C27 | C28 | H281 | 148.1° | 179.9° |
| H28 | C28 | C29 | H291 | 175.5° | 180.0° |
| H28 | C28 | C29 | H29 | 65.7° | 60.0° |
| H281 | C28 | C29 | H291 | 56.3° | 60.0° |
| H281 | C28 | C29 | H29 | 175.0° | 180.0° |
| H291 | C29 | C30 | H30 | 15.1° | 180.0° |
| H291 | C29 | C30 | H301 | 133.9° | 60.0° |
| H29 | C29 | C30 | H30 | 103.7° | 60.0° |
| H29 | C29 | C30 | H301 | 15.1° | 179.9° |
| H30 | C30 | C31 | H312 | 59.4° | 180.0° |
| H30 | C30 | C31 | H31 | 179.4° | 59.9° |
| H30 | C30 | C31 | H311 | 60.6° | 60.0° |
| H301 | C30 | C31 | H312 | 59.4° | 60.0° |
| H301 | C30 | C31 | H31 | 60.6° | 180.0° |
| H301 | C30 | C31 | H311 | 179.4° | 60.0° |
| H312 | C31 | H31 | H311 | 119.9° | 120.0° |
