TPI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1 | sing | 1.61Å | 1.59Å | |
| P | O2 | sing | 1.61Å | 1.48Å | |
| P | O3 | doub | 1.48Å | 1.59Å | |
| P | C1 | sing | 1.82Å | 1.79Å | |
| O1 | HO11 | sing | 0.97Å | 0.95Å | |
| O2 | HO21 | sing | 0.97Å | 0.95Å | |
| C1 | F1 | sing | 1.40Å | 1.35Å | |
| C1 | F2 | sing | 1.40Å | 1.33Å | |
| C1 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | doub | 1.36Å | 1.41Å | Aromatic |
| C2 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | H21 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.10Å | |
| C5 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | H61 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C7 | C12 | sing | 1.48Å | 1.52Å | |
| C8 | C9 | doub | 1.36Å | 1.42Å | Aromatic |
| C8 | H81 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | H91 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.42Å | 1.41Å | Aromatic |
| C12 | O4 | doub | 1.22Å | 1.22Å | |
| C12 | N1 | sing | 1.35Å | 1.47Å | |
| N1 | C13 | sing | 1.46Å | 1.47Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C14 | N2 | sing | 1.35Å | 1.45Å | |
| C14 | O5 | doub | 1.21Å | 1.22Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | O6 | doub | 1.21Å | 1.33Å | |
| C17 | O7 | sing | 1.34Å | 1.23Å | |
| O7 | HO71 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P | O2 | 110.7° | 109.5° |
| O1 | P | O3 | 109.9° | 109.5° |
| O1 | P | C1 | 109.3° | 109.5° |
| P | O1 | HO11 | 110.7° | 106.8° |
| O2 | P | O3 | 110.1° | 109.5° |
| O2 | P | C1 | 107.7° | 109.4° |
| P | O2 | HO21 | 110.7° | 106.8° |
| O3 | P | C1 | 109.2° | 109.5° |
| P | C1 | F1 | 109.0° | 109.5° |
| P | C1 | F2 | 106.8° | 109.4° |
| P | C1 | C3 | 115.0° | 109.5° |
| F1 | C1 | F2 | 109.3° | 109.5° |
| F1 | C1 | C3 | 107.9° | 109.5° |
| F2 | C1 | C3 | 108.7° | 109.5° |
| C1 | C3 | C2 | 121.8° | 119.5° |
| C1 | C3 | C4 | 118.4° | 119.5° |
| C3 | C2 | C10 | 119.7° | 119.7° |
| C3 | C2 | H21 | 120.0° | 120.2° |
| C2 | C3 | C4 | 119.7° | 121.0° |
| C10 | C2 | H21 | 120.2° | 120.1° |
| C2 | C10 | C9 | 121.3° | 121.1° |
| C2 | C10 | C11 | 119.3° | 119.2° |
| C3 | C4 | C5 | 120.8° | 121.0° |
| C3 | C4 | H41 | 120.0° | 119.5° |
| C5 | C4 | H41 | 119.2° | 119.5° |
| C4 | C5 | C11 | 119.8° | 119.7° |
| C4 | C5 | H51 | 119.9° | 120.2° |
| C11 | C5 | H51 | 120.3° | 120.2° |
| C5 | C11 | C6 | 119.0° | 121.1° |
| C5 | C11 | C10 | 120.6° | 119.4° |
| C7 | C6 | C11 | 120.7° | 119.4° |
| C7 | C6 | H61 | 119.5° | 120.3° |
| C6 | C7 | C8 | 119.5° | 120.6° |
| C6 | C7 | C12 | 119.1° | 119.7° |
| C11 | C6 | H61 | 119.9° | 120.3° |
| C6 | C11 | C10 | 120.3° | 119.5° |
| C8 | C7 | C12 | 121.5° | 119.7° |
| C7 | C8 | C9 | 120.2° | 120.8° |
| C7 | C8 | H81 | 119.9° | 119.6° |
| C7 | C12 | O4 | 117.8° | 120.0° |
| C7 | C12 | N1 | 120.2° | 120.0° |
| C9 | C8 | H81 | 119.9° | 119.6° |
| C8 | C9 | C10 | 119.9° | 120.1° |
| C8 | C9 | H91 | 120.2° | 120.0° |
| C10 | C9 | H91 | 119.8° | 119.9° |
| C9 | C10 | C11 | 119.4° | 119.6° |
| O4 | C12 | N1 | 122.1° | 120.0° |
| C12 | N1 | C13 | 114.8° | 120.0° |
| C12 | N1 | HN11 | 122.5° | 119.9° |
| C13 | N1 | HN11 | 122.8° | 120.0° |
| N1 | C13 | C14 | 116.7° | 109.6° |
| N1 | C13 | C15 | 110.8° | 109.5° |
| N1 | C13 | H131 | 102.9° | 109.5° |
| C14 | C13 | C15 | 108.1° | 109.5° |
| C14 | C13 | H131 | 105.9° | 109.4° |
| C13 | C14 | N2 | 118.0° | 119.9° |
| C13 | C14 | O5 | 121.6° | 120.1° |
| C15 | C13 | H131 | 112.4° | 109.4° |
| C13 | C15 | C16 | 111.8° | 109.5° |
| C13 | C15 | H151 | 111.4° | 109.4° |
| C13 | C15 | H152 | 111.4° | 109.5° |
| N2 | C14 | O5 | 120.3° | 120.0° |
| C14 | N2 | HN21 | 120.3° | 120.0° |
| C14 | N2 | HN22 | 118.0° | 120.0° |
| HN21 | N2 | HN22 | 121.6° | 120.0° |
| C16 | C15 | H151 | 111.4° | 109.5° |
| C16 | C15 | H152 | 111.4° | 109.5° |
| C15 | C16 | C17 | 109.1° | 109.5° |
| C15 | C16 | H161 | 112.3° | 109.5° |
| C15 | C16 | H162 | 112.3° | 109.5° |
| H151 | C15 | H152 | 98.9° | 109.4° |
| C17 | C16 | H161 | 112.4° | 109.5° |
| C17 | C16 | H162 | 112.3° | 109.5° |
| C16 | C17 | O6 | 115.1° | 119.9° |
| C16 | C17 | O7 | 122.8° | 120.0° |
| H161 | C16 | H162 | 98.1° | 109.4° |
| O6 | C17 | O7 | 122.1° | 120.0° |
| C17 | O7 | HO71 | 122.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P | O2 | O3 | 121.6° | 120.1° |
| O1 | P | O2 | C1 | 119.4° | 120.0° |
| O1 | P | O3 | C1 | 119.8° | 120.1° |
| O1 | P | O2 | HO21 | 180.0° | 59.8° |
| O1 | P | C1 | F1 | 178.1° | 175.9° |
| O1 | P | C1 | F2 | 60.1° | 64.1° |
| O1 | P | C1 | C3 | 60.6° | 55.9° |
| O2 | P | O3 | C1 | 118.1° | 119.9° |
| O2 | P | O1 | HO11 | 180.0° | 60.1° |
| O2 | P | C1 | F1 | 57.8° | 55.9° |
| O2 | P | C1 | F2 | 60.2° | 175.9° |
| O2 | P | C1 | C3 | 179.1° | 64.1° |
| O3 | P | O1 | HO11 | 58.2° | 59.9° |
| O3 | P | O2 | HO21 | 58.4° | 179.9° |
| O3 | P | C1 | F1 | 61.7° | 64.0° |
| O3 | P | C1 | F2 | 179.7° | 56.0° |
| O3 | P | C1 | C3 | 59.6° | 175.9° |
| C1 | P | O1 | HO11 | 61.5° | 180.0° |
| C1 | P | O2 | HO21 | 60.6° | 60.1° |
| P | C1 | F1 | F2 | 116.4° | 120.0° |
| P | C1 | F1 | C3 | 125.5° | 120.0° |
| P | C1 | F2 | C3 | 124.6° | 120.0° |
| P | C1 | C3 | C2 | 88.6° | 90.2° |
| P | C1 | C3 | C4 | 94.2° | 89.8° |
| F1 | C1 | F2 | C3 | 117.6° | 120.0° |
| F1 | C1 | C3 | C2 | 149.5° | 149.7° |
| F1 | C1 | C3 | C4 | 27.7° | 30.2° |
| F2 | C1 | C3 | C2 | 31.1° | 29.8° |
| F2 | C1 | C3 | C4 | 146.1° | 150.2° |
| C1 | C3 | C2 | C4 | 177.1° | 180.0° |
| C1 | C3 | C2 | C10 | 176.4° | 180.0° |
| C1 | C3 | C2 | H21 | 3.6° | 0.0° |
| C1 | C3 | C4 | C5 | 176.6° | 180.0° |
| C1 | C3 | C4 | H41 | 3.4° | 0.1° |
| C3 | C2 | C10 | H21 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C2 | C3 | C4 | H41 | 179.3° | 179.9° |
| C3 | C2 | C10 | C9 | 179.3° | 180.0° |
| C3 | C2 | C10 | C11 | 0.1° | 0.1° |
| C10 | C2 | C3 | C4 | 0.7° | 0.1° |
| C2 | C10 | C11 | C5 | 1.0° | 0.1° |
| C2 | C10 | C11 | C6 | 178.4° | 179.7° |
| C2 | C10 | C9 | C8 | 178.8° | 180.0° |
| C2 | C10 | C9 | C11 | 179.2° | 179.9° |
| C2 | C10 | C9 | H91 | 1.2° | 0.0° |
| H21 | C2 | C3 | C4 | 179.2° | 179.9° |
| H21 | C2 | C10 | C9 | 0.8° | 0.0° |
| H21 | C2 | C10 | C11 | 180.0° | 179.9° |
| C3 | C4 | C5 | H41 | 180.0° | 179.9° |
| C3 | C4 | C5 | C11 | 0.3° | 0.1° |
| C3 | C4 | C5 | H51 | 179.7° | 180.0° |
| C4 | C5 | C11 | H51 | 179.9° | 179.9° |
| C4 | C5 | C11 | C6 | 178.3° | 179.7° |
| C4 | C5 | C11 | C10 | 1.1° | 0.1° |
| H41 | C4 | C5 | C11 | 179.8° | 179.9° |
| H41 | C4 | C5 | H51 | 0.3° | 0.0° |
| C5 | C11 | C6 | C7 | 179.8° | 179.8° |
| C5 | C11 | C6 | C10 | 179.4° | 179.6° |
| C5 | C11 | C6 | H61 | 0.2° | 0.1° |
| C5 | C11 | C10 | C9 | 179.8° | 180.0° |
| H51 | C5 | C11 | C6 | 1.7° | 0.4° |
| H51 | C5 | C11 | C10 | 178.8° | 180.0° |
| C7 | C6 | C11 | H61 | 180.0° | 179.7° |
| C6 | C7 | C8 | C12 | 179.9° | 179.7° |
| C6 | C7 | C8 | C9 | 0.9° | 0.3° |
| C6 | C7 | C8 | H81 | 179.1° | 179.9° |
| C7 | C6 | C11 | C10 | 0.3° | 0.6° |
| C6 | C7 | C12 | O4 | 1.3° | 0.2° |
| C6 | C7 | C12 | N1 | 178.6° | 179.7° |
| C11 | C6 | C7 | C8 | 0.5° | 0.6° |
| C11 | C6 | C7 | C12 | 179.6° | 179.7° |
| C6 | C11 | C10 | C9 | 0.8° | 0.4° |
| H61 | C6 | C7 | C8 | 179.5° | 179.7° |
| H61 | C6 | C7 | C12 | 0.4° | 0.0° |
| H61 | C6 | C11 | C10 | 179.7° | 179.7° |
| C7 | C8 | C9 | H81 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 0.4° | 0.1° |
| C7 | C8 | C9 | H91 | 179.6° | 180.0° |
| C8 | C7 | C12 | O4 | 178.8° | 180.0° |
| C8 | C7 | C12 | N1 | 1.3° | 0.0° |
| C12 | C7 | C8 | C9 | 179.2° | 179.9° |
| C12 | C7 | C8 | H81 | 0.8° | 0.1° |
| C7 | C12 | O4 | N1 | 180.0° | 179.9° |
| C7 | C12 | N1 | C13 | 179.6° | 180.0° |
| C7 | C12 | N1 | HN11 | 0.3° | 0.1° |
| C8 | C9 | C10 | H91 | 179.9° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.1° |
| H81 | C8 | C9 | C10 | 179.5° | 179.9° |
| H81 | C8 | C9 | H91 | 0.4° | 0.1° |
| H91 | C9 | C10 | C11 | 179.6° | 179.9° |
| O4 | C12 | N1 | C13 | 0.3° | 0.1° |
| O4 | C12 | N1 | HN11 | 179.7° | 180.0° |
| C12 | N1 | C13 | HN11 | 180.0° | 179.9° |
| C12 | N1 | C13 | C14 | 57.2° | 89.9° |
| C12 | N1 | C13 | C15 | 178.6° | 150.0° |
| C12 | N1 | C13 | H131 | 58.2° | 30.1° |
| N1 | C13 | C14 | C15 | 125.6° | 120.1° |
| N1 | C13 | C14 | H131 | 113.8° | 120.0° |
| N1 | C13 | C15 | H131 | 114.5° | 120.0° |
| N1 | C13 | C14 | N2 | 123.0° | 30.0° |
| N1 | C13 | C14 | O5 | 58.9° | 150.0° |
| N1 | C13 | C15 | C16 | 63.6° | 60.0° |
| N1 | C13 | C15 | H151 | 61.7° | 60.1° |
| N1 | C13 | C15 | H152 | 171.0° | 180.0° |
| HN11 | N1 | C13 | C14 | 122.8° | 90.0° |
| HN11 | N1 | C13 | C15 | 1.4° | 30.1° |
| HN11 | N1 | C13 | H131 | 121.8° | 150.0° |
| C14 | C13 | C15 | H131 | 116.5° | 119.9° |
| C13 | C14 | N2 | O5 | 178.1° | 180.0° |
| C13 | C14 | N2 | HN21 | 1.9° | 180.0° |
| C13 | C14 | N2 | HN22 | 180.0° | 0.3° |
| C14 | C13 | C15 | C16 | 167.4° | 179.9° |
| C14 | C13 | C15 | H151 | 67.3° | 60.0° |
| C14 | C13 | C15 | H152 | 42.1° | 59.9° |
| C15 | C13 | C14 | N2 | 111.4° | 90.1° |
| C15 | C13 | C14 | O5 | 66.7° | 90.0° |
| C13 | C15 | C16 | H151 | 125.3° | 120.0° |
| C13 | C15 | C16 | H152 | 125.3° | 120.1° |
| C13 | C15 | H151 | H152 | 117.2° | 120.0° |
| C13 | C15 | C16 | C17 | 179.4° | 180.0° |
| C13 | C15 | C16 | H161 | 54.2° | 60.0° |
| C13 | C15 | C16 | H162 | 55.3° | 59.9° |
| H131 | C13 | C14 | N2 | 9.2° | 150.0° |
| H131 | C13 | C14 | O5 | 172.7° | 30.0° |
| H131 | C13 | C15 | C16 | 50.9° | 60.1° |
| H131 | C13 | C15 | H151 | 176.2° | 179.9° |
| H131 | C13 | C15 | H152 | 74.4° | 60.0° |
| C14 | N2 | HN21 | HN22 | 178.1° | 179.7° |
| O5 | C14 | N2 | HN21 | 180.0° | 0.0° |
| O5 | C14 | N2 | HN22 | 1.8° | 179.7° |
| C16 | C15 | H151 | H152 | 117.3° | 120.0° |
| C15 | C16 | C17 | H161 | 125.2° | 120.0° |
| C15 | C16 | C17 | H162 | 125.2° | 120.0° |
| C15 | C16 | H161 | H162 | 118.3° | 119.9° |
| C15 | C16 | C17 | O6 | 174.5° | 0.0° |
| C15 | C16 | C17 | O7 | 6.0° | 180.0° |
| H151 | C15 | C16 | C17 | 55.3° | 60.0° |
| H151 | C15 | C16 | H161 | 179.4° | 180.0° |
| H151 | C15 | C16 | H162 | 70.0° | 60.1° |
| H152 | C15 | C16 | C17 | 54.1° | 60.0° |
| H152 | C15 | C16 | H161 | 71.1° | 60.1° |
| H152 | C15 | C16 | H162 | 179.4° | 180.0° |
| C17 | C16 | H161 | H162 | 118.3° | 120.0° |
| C16 | C17 | O6 | O7 | 179.5° | 180.0° |
| C16 | C17 | O7 | HO71 | 180.0° | 180.0° |
| H161 | C16 | C17 | O6 | 60.3° | 120.0° |
| H161 | C16 | C17 | O7 | 119.2° | 60.0° |
| H162 | C16 | C17 | O6 | 49.3° | 120.0° |
| H162 | C16 | C17 | O7 | 131.3° | 60.0° |
| O6 | C17 | O7 | HO71 | 0.6° | 0.0° |
