FIL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C18 | doub | 1.22Å | 1.23Å | |
| C18 | N20 | sing | 1.35Å | 1.34Å | |
| C18 | O21 | sing | 1.35Å | 1.46Å | |
| N20 | H201 | sing | 0.97Å | 1.02Å | |
| N20 | H202 | sing | 0.97Å | 1.02Å | |
| O21 | N2 | sing | 1.22Å | 1.44Å | |
| N2 | C1 | doub | 1.29Å | 1.46Å | |
| C1 | C17 | sing | 1.51Å | 1.52Å | |
| C1 | C3 | sing | 1.48Å | 1.49Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C17 | H173 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | O7 | sing | 1.36Å | 1.37Å | |
| C6 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| O7 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C8 | H83 | sing | 1.09Å | 1.12Å | |
| C9 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | O10 | sing | 1.36Å | 1.36Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| O10 | C11 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.54Å | 1.51Å | |
| C11 | C15 | sing | 1.54Å | 1.50Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.55Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.54Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C18 | N20 | 123.0° | 120.0° |
| O19 | C18 | O21 | 117.8° | 120.0° |
| N20 | C18 | O21 | 119.2° | 120.0° |
| C18 | N20 | H201 | 123.0° | 120.0° |
| C18 | N20 | H202 | 119.3° | 120.0° |
| C18 | O21 | N2 | 120.4° | 120.0° |
| H201 | N20 | H202 | 117.8° | 120.0° |
| O21 | N2 | C1 | 122.7° | 119.9° |
| N2 | C1 | C17 | 112.1° | 120.0° |
| N2 | C1 | C3 | 109.8° | 120.0° |
| C17 | C1 | C3 | 110.2° | 120.0° |
| C1 | C17 | H171 | 111.2° | 109.5° |
| C1 | C17 | H172 | 112.1° | 109.5° |
| C1 | C17 | H173 | 111.2° | 109.4° |
| C1 | C3 | C4 | 119.8° | 120.1° |
| C1 | C3 | C16 | 120.9° | 120.0° |
| H171 | C17 | H172 | 111.3° | 109.5° |
| H171 | C17 | H173 | 99.1° | 109.5° |
| H172 | C17 | H173 | 111.2° | 109.5° |
| C4 | C3 | C16 | 119.3° | 119.9° |
| C3 | C4 | C5 | 120.9° | 119.9° |
| C3 | C4 | H4 | 119.7° | 120.0° |
| C3 | C16 | C9 | 120.2° | 119.8° |
| C3 | C16 | H16 | 119.6° | 120.1° |
| C5 | C4 | H4 | 119.4° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.2° |
| C4 | C5 | H5 | 119.8° | 119.9° |
| C6 | C5 | H5 | 119.8° | 119.9° |
| C5 | C6 | O7 | 120.3° | 119.9° |
| C5 | C6 | C9 | 119.1° | 120.2° |
| O7 | C6 | C9 | 120.5° | 119.9° |
| C6 | O7 | C8 | 125.1° | 106.8° |
| C6 | C9 | C16 | 120.1° | 120.0° |
| C6 | C9 | O10 | 119.1° | 120.0° |
| O7 | C8 | H81 | 106.7° | 109.5° |
| O7 | C8 | H82 | 125.1° | 109.5° |
| O7 | C8 | H83 | 106.7° | 109.4° |
| H81 | C8 | H82 | 106.7° | 109.5° |
| H81 | C8 | H83 | 102.9° | 109.5° |
| H82 | C8 | H83 | 106.7° | 109.4° |
| C16 | C9 | O10 | 120.7° | 120.0° |
| C9 | C16 | H16 | 120.2° | 120.1° |
| C9 | O10 | C11 | 123.4° | 106.8° |
| O10 | C11 | C12 | 109.7° | 110.0° |
| O10 | C11 | C15 | 107.6° | 110.1° |
| O10 | C11 | H11 | 109.5° | 110.0° |
| C12 | C11 | C15 | 106.1° | 106.6° |
| C12 | C11 | H11 | 110.9° | 110.0° |
| C11 | C12 | C13 | 105.0° | 104.2° |
| C11 | C12 | H121 | 113.9° | 110.5° |
| C11 | C12 | H122 | 113.9° | 110.5° |
| C15 | C11 | H11 | 112.9° | 110.1° |
| C11 | C15 | C14 | 107.1° | 106.6° |
| C11 | C15 | H151 | 113.1° | 110.1° |
| C11 | C15 | H152 | 113.1° | 110.0° |
| C13 | C12 | H121 | 113.9° | 110.5° |
| C13 | C12 | H122 | 113.9° | 110.5° |
| C12 | C13 | C14 | 106.1° | 102.8° |
| C12 | C13 | H131 | 113.4° | 110.8° |
| C12 | C13 | H132 | 113.5° | 110.7° |
| H121 | C12 | H122 | 96.5° | 110.5° |
| C14 | C13 | H131 | 113.5° | 110.8° |
| C14 | C13 | H132 | 113.5° | 110.7° |
| C13 | C14 | C15 | 107.0° | 104.2° |
| C13 | C14 | H141 | 113.1° | 110.5° |
| C13 | C14 | H142 | 113.1° | 110.6° |
| H131 | C13 | H132 | 97.0° | 110.8° |
| C15 | C14 | H141 | 113.1° | 110.5° |
| C15 | C14 | H142 | 113.1° | 110.4° |
| C14 | C15 | H151 | 113.1° | 110.0° |
| C14 | C15 | H152 | 113.1° | 110.0° |
| H141 | C14 | H142 | 97.4° | 110.5° |
| H151 | C15 | H152 | 97.3° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C18 | N20 | O21 | 179.3° | 180.0° |
| O19 | C18 | N20 | H201 | 180.0° | 0.0° |
| O19 | C18 | N20 | H202 | 0.6° | 180.0° |
| O19 | C18 | O21 | N2 | 36.7° | 0.0° |
| C18 | N20 | H201 | H202 | 179.4° | 180.0° |
| N20 | C18 | O21 | N2 | 142.7° | 179.9° |
| O21 | C18 | N20 | H201 | 0.6° | 180.0° |
| O21 | C18 | N20 | H202 | 180.0° | 0.0° |
| C18 | O21 | N2 | C1 | 70.5° | 179.9° |
| O21 | N2 | C1 | C17 | 1.5° | 0.2° |
| O21 | N2 | C1 | C3 | 121.4° | 179.9° |
| N2 | C1 | C17 | C3 | 122.6° | 179.9° |
| N2 | C1 | C17 | H171 | 54.7° | 0.1° |
| N2 | C1 | C17 | H172 | 180.0° | 119.9° |
| N2 | C1 | C17 | H173 | 54.7° | 120.1° |
| N2 | C1 | C3 | C4 | 104.0° | 179.9° |
| N2 | C1 | C3 | C16 | 75.5° | 0.0° |
| C1 | C17 | H171 | H172 | 125.8° | 120.0° |
| C1 | C17 | H171 | H173 | 117.1° | 120.0° |
| C1 | C17 | H172 | H173 | 125.2° | 119.9° |
| C17 | C1 | C3 | C4 | 132.0° | 0.0° |
| C17 | C1 | C3 | C16 | 48.5° | 179.9° |
| C3 | C1 | C17 | H171 | 177.3° | 180.0° |
| C3 | C1 | C17 | H172 | 57.4° | 60.0° |
| C3 | C1 | C17 | H173 | 67.9° | 60.0° |
| C1 | C3 | C4 | C16 | 179.4° | 179.9° |
| C1 | C3 | C4 | C5 | 179.5° | 180.0° |
| C1 | C3 | C4 | H4 | 0.5° | 0.0° |
| C1 | C3 | C16 | C9 | 179.7° | 179.8° |
| C1 | C3 | C16 | H16 | 0.3° | 0.1° |
| H171 | C17 | H172 | H173 | 109.5° | 120.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C3 | C4 | C5 | H5 | 179.7° | 180.0° |
| C4 | C3 | C16 | C9 | 0.3° | 0.3° |
| C4 | C3 | C16 | H16 | 179.7° | 180.0° |
| C16 | C3 | C4 | C5 | 0.0° | 0.1° |
| C16 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | C16 | C9 | C6 | 0.2° | 0.5° |
| C3 | C16 | C9 | H16 | 180.0° | 179.7° |
| C3 | C16 | C9 | O10 | 179.7° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | O7 | 179.4° | 180.0° |
| C4 | C5 | C6 | C9 | 0.4° | 0.3° |
| H4 | C4 | C5 | C6 | 179.7° | 179.9° |
| H4 | C4 | C5 | H5 | 0.3° | 0.0° |
| C5 | C6 | O7 | C9 | 179.8° | 179.7° |
| C5 | C6 | O7 | C8 | 18.4° | 0.0° |
| C5 | C6 | C9 | C16 | 0.2° | 0.6° |
| C5 | C6 | C9 | O10 | 180.0° | 179.9° |
| H5 | C5 | C6 | O7 | 0.6° | 0.1° |
| H5 | C5 | C6 | C9 | 179.6° | 179.8° |
| C6 | O7 | C8 | H81 | 54.7° | 180.0° |
| C6 | O7 | C8 | H82 | 180.0° | 59.9° |
| C6 | O7 | C8 | H83 | 54.7° | 60.0° |
| O7 | C6 | C9 | C16 | 179.6° | 179.8° |
| O7 | C6 | C9 | O10 | 0.2° | 0.2° |
| C9 | C6 | O7 | C8 | 161.8° | 179.7° |
| C6 | C9 | C16 | O10 | 179.8° | 179.6° |
| C6 | C9 | C16 | H16 | 179.8° | 179.8° |
| C6 | C9 | O10 | C11 | 167.4° | 173.7° |
| O7 | C8 | H81 | H82 | 135.7° | 120.1° |
| O7 | C8 | H81 | H83 | 112.1° | 119.9° |
| O7 | C8 | H82 | H83 | 125.3° | 119.9° |
| H81 | C8 | H82 | H83 | 109.5° | 120.0° |
| C16 | C9 | O10 | C11 | 12.8° | 6.7° |
| O10 | C9 | C16 | H16 | 0.3° | 0.2° |
| C9 | O10 | C11 | C12 | 118.9° | 84.1° |
| C9 | O10 | C11 | C15 | 126.1° | 158.8° |
| C9 | O10 | C11 | H11 | 3.0° | 37.3° |
| O10 | C11 | C12 | C15 | 115.9° | 119.3° |
| O10 | C11 | C12 | H11 | 121.1° | 121.4° |
| O10 | C11 | C15 | H11 | 121.0° | 121.4° |
| O10 | C11 | C12 | C13 | 86.4° | 142.9° |
| O10 | C11 | C12 | H121 | 38.9° | 24.2° |
| O10 | C11 | C12 | H122 | 148.4° | 98.4° |
| O10 | C11 | C15 | C14 | 96.8° | 119.3° |
| O10 | C11 | C15 | H151 | 137.9° | 121.4° |
| O10 | C11 | C15 | H152 | 28.5° | 0.0° |
| C12 | C11 | C15 | H11 | 121.7° | 119.2° |
| C11 | C12 | C13 | H121 | 125.3° | 118.6° |
| C11 | C12 | C13 | H122 | 125.3° | 118.7° |
| C11 | C12 | H121 | H122 | 119.8° | 122.6° |
| C11 | C12 | C13 | C14 | 27.2° | 38.0° |
| C11 | C12 | C13 | H131 | 98.0° | 80.4° |
| C11 | C12 | C13 | H132 | 152.5° | 156.2° |
| C12 | C11 | C15 | C14 | 20.6° | 0.0° |
| C12 | C11 | C15 | H151 | 104.7° | 119.3° |
| C12 | C11 | C15 | H152 | 145.8° | 119.3° |
| C15 | C11 | C12 | C13 | 29.6° | 23.6° |
| C15 | C11 | C12 | H121 | 154.9° | 95.1° |
| C15 | C11 | C12 | H122 | 95.7° | 142.3° |
| C11 | C15 | C14 | C13 | 3.6° | 23.7° |
| C11 | C15 | C14 | H151 | 125.3° | 119.3° |
| C11 | C15 | C14 | H152 | 125.3° | 119.3° |
| C11 | C15 | C14 | H141 | 121.7° | 142.3° |
| C11 | C15 | C14 | H142 | 128.8° | 95.1° |
| C11 | C15 | H151 | H152 | 119.0° | 121.4° |
| H11 | C11 | C12 | C13 | 152.5° | 95.7° |
| H11 | C11 | C12 | H121 | 82.2° | 145.6° |
| H11 | C11 | C12 | H122 | 27.3° | 23.0° |
| H11 | C11 | C15 | C14 | 142.2° | 119.3° |
| H11 | C11 | C15 | H151 | 17.0° | 0.1° |
| H11 | C11 | C15 | H152 | 92.5° | 121.4° |
| C13 | C12 | H121 | H122 | 119.8° | 122.7° |
| C12 | C13 | C14 | H131 | 125.2° | 118.3° |
| C12 | C13 | C14 | H132 | 125.3° | 118.2° |
| C12 | C13 | H131 | H132 | 119.4° | 123.3° |
| C12 | C13 | C14 | C15 | 14.7° | 38.0° |
| C12 | C13 | C14 | H141 | 139.9° | 156.7° |
| C12 | C13 | C14 | H142 | 110.5° | 80.7° |
| H121 | C12 | C13 | C14 | 152.5° | 80.7° |
| H121 | C12 | C13 | H131 | 27.3° | 160.9° |
| H121 | C12 | C13 | H132 | 82.2° | 37.6° |
| H122 | C12 | C13 | C14 | 98.1° | 156.7° |
| H122 | C12 | C13 | H131 | 136.7° | 38.3° |
| H122 | C12 | C13 | H132 | 27.2° | 85.1° |
| C14 | C13 | H131 | H132 | 119.4° | 123.3° |
| C13 | C14 | C15 | H141 | 125.2° | 118.7° |
| C13 | C14 | C15 | H142 | 125.3° | 118.7° |
| C13 | C14 | H141 | H142 | 119.1° | 122.7° |
| C13 | C14 | C15 | H151 | 121.7° | 95.7° |
| C13 | C14 | C15 | H152 | 128.9° | 142.9° |
| H131 | C13 | C14 | C15 | 110.5° | 80.4° |
| H131 | C13 | C14 | H141 | 14.7° | 38.3° |
| H131 | C13 | C14 | H142 | 124.2° | 161.0° |
| H132 | C13 | C14 | C15 | 140.0° | 156.2° |
| H132 | C13 | C14 | H141 | 94.8° | 85.1° |
| H132 | C13 | C14 | H142 | 14.7° | 37.6° |
| C15 | C14 | H141 | H142 | 119.0° | 122.5° |
| C14 | C15 | H151 | H152 | 119.0° | 121.4° |
| H141 | C14 | C15 | H151 | 113.1° | 23.0° |
| H141 | C14 | C15 | H152 | 3.6° | 98.4° |
| H142 | C14 | C15 | H151 | 3.6° | 145.6° |
| H142 | C14 | C15 | H152 | 105.9° | 24.2° |
