INK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | CL | sing | 2.08Å | 1.55Å | |
| P | C1 | sing | 1.82Å | 1.72Å | |
| P | O1 | doub | 1.48Å | 1.59Å | |
| P | O2 | sing | 1.61Å | 1.61Å | |
| C1 | HC11 | sing | 1.09Å | 1.11Å | |
| C1 | HC12 | sing | 1.09Å | 1.11Å | |
| C1 | HC13 | sing | 1.09Å | 1.12Å | |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C5 | sing | 1.53Å | 1.52Å | |
| C2 | HC2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | HC31 | sing | 1.09Å | 1.11Å | |
| C3 | HC32 | sing | 1.09Å | 1.12Å | |
| C4 | HC41 | sing | 1.09Å | 1.12Å | |
| C4 | HC42 | sing | 1.09Å | 1.12Å | |
| C4 | HC43 | sing | 1.09Å | 1.11Å | |
| C5 | O3 | sing | 1.43Å | 1.46Å | |
| C5 | HC51 | sing | 1.09Å | 1.12Å | |
| C5 | HC52 | sing | 1.09Å | 1.11Å | |
| O3 | C10 | sing | 1.36Å | 1.40Å | |
| C6 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | HC7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | HC8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C9 | HC9 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.39Å | 1.43Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | P | C1 | 115.5° | 109.4° |
| CL | P | O1 | 103.6° | 109.5° |
| CL | P | O2 | 107.6° | 109.5° |
| C1 | P | O1 | 112.2° | 109.4° |
| C1 | P | O2 | 104.7° | 109.5° |
| P | C1 | HC11 | 115.5° | 109.5° |
| P | C1 | HC12 | 110.0° | 109.5° |
| P | C1 | HC13 | 110.0° | 109.4° |
| O1 | P | O2 | 113.4° | 109.5° |
| P | O2 | C2 | 128.0° | 106.8° |
| HC11 | C1 | HC12 | 110.1° | 109.5° |
| HC11 | C1 | HC13 | 110.1° | 109.5° |
| HC12 | C1 | HC13 | 100.2° | 109.5° |
| O2 | C2 | C3 | 111.4° | 109.5° |
| O2 | C2 | C5 | 110.0° | 109.5° |
| O2 | C2 | HC2 | 107.6° | 109.4° |
| C3 | C2 | C5 | 108.7° | 109.5° |
| C3 | C2 | HC2 | 108.9° | 109.4° |
| C2 | C3 | C4 | 107.7° | 109.5° |
| C2 | C3 | HC31 | 112.9° | 109.5° |
| C2 | C3 | HC32 | 112.9° | 109.5° |
| C5 | C2 | HC2 | 110.3° | 109.5° |
| C2 | C5 | O3 | 111.4° | 109.5° |
| C2 | C5 | HC51 | 111.4° | 109.5° |
| C2 | C5 | HC52 | 111.5° | 109.5° |
| C4 | C3 | HC31 | 112.9° | 109.4° |
| C4 | C3 | HC32 | 112.9° | 109.5° |
| C3 | C4 | HC41 | 107.7° | 109.5° |
| C3 | C4 | HC42 | 112.9° | 109.5° |
| C3 | C4 | HC43 | 112.9° | 109.5° |
| HC31 | C3 | HC32 | 97.6° | 109.5° |
| HC41 | C4 | HC42 | 112.8° | 109.5° |
| HC41 | C4 | HC43 | 112.9° | 109.4° |
| HC42 | C4 | HC43 | 97.6° | 109.4° |
| O3 | C5 | HC51 | 111.5° | 109.5° |
| O3 | C5 | HC52 | 111.5° | 109.5° |
| C5 | O3 | C10 | 121.2° | 106.9° |
| HC51 | C5 | HC52 | 98.9° | 109.4° |
| O3 | C10 | C9 | 121.6° | 120.1° |
| O3 | C10 | C11 | 119.7° | 120.0° |
| C7 | C6 | C11 | 119.9° | 120.1° |
| C7 | C6 | HC6 | 120.2° | 120.0° |
| C6 | C7 | C8 | 120.4° | 120.1° |
| C6 | C7 | HC7 | 120.0° | 120.0° |
| C11 | C6 | HC6 | 119.9° | 120.0° |
| C6 | C11 | C10 | 120.2° | 119.9° |
| C6 | C11 | H11 | 119.6° | 120.0° |
| C8 | C7 | HC7 | 119.6° | 119.9° |
| C7 | C8 | C9 | 119.6° | 120.0° |
| C7 | C8 | HC8 | 120.6° | 120.0° |
| C9 | C8 | HC8 | 119.8° | 120.0° |
| C8 | C9 | C10 | 121.2° | 120.0° |
| C8 | C9 | HC9 | 118.4° | 120.0° |
| C10 | C9 | HC9 | 120.4° | 120.0° |
| C9 | C10 | C11 | 118.7° | 119.9° |
| C10 | C11 | H11 | 120.3° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | P | C1 | O1 | 118.4° | 120.0° |
| CL | P | C1 | O2 | 118.1° | 120.0° |
| CL | P | O1 | O2 | 116.4° | 120.0° |
| CL | P | C1 | HC11 | 180.0° | 60.0° |
| CL | P | C1 | HC12 | 54.7° | 60.0° |
| CL | P | C1 | HC13 | 54.7° | 180.0° |
| CL | P | O2 | C2 | 124.9° | 60.0° |
| C1 | P | O1 | O2 | 118.4° | 120.0° |
| P | C1 | HC11 | HC12 | 125.3° | 120.0° |
| P | C1 | HC11 | HC13 | 125.3° | 120.0° |
| P | C1 | HC12 | HC13 | 115.8° | 120.0° |
| C1 | P | O2 | C2 | 111.8° | 180.0° |
| O1 | P | C1 | HC11 | 61.6° | 60.0° |
| O1 | P | C1 | HC12 | 63.7° | 180.0° |
| O1 | P | C1 | HC13 | 173.2° | 60.0° |
| O1 | P | O2 | C2 | 10.9° | 60.0° |
| O2 | P | C1 | HC11 | 61.9° | 180.0° |
| O2 | P | C1 | HC12 | 172.8° | 60.0° |
| O2 | P | C1 | HC13 | 63.4° | 60.0° |
| P | O2 | C2 | C3 | 125.0° | 120.0° |
| P | O2 | C2 | C5 | 114.3° | 120.0° |
| P | O2 | C2 | HC2 | 5.8° | 0.0° |
| HC11 | C1 | HC12 | HC13 | 115.9° | 120.0° |
| O2 | C2 | C3 | C5 | 121.4° | 120.1° |
| O2 | C2 | C3 | HC2 | 118.4° | 120.0° |
| O2 | C2 | C5 | HC2 | 118.5° | 119.9° |
| O2 | C2 | C3 | C4 | 70.8° | 59.9° |
| O2 | C2 | C3 | HC31 | 163.9° | 60.0° |
| O2 | C2 | C3 | HC32 | 54.4° | 180.0° |
| O2 | C2 | C5 | O3 | 25.5° | 59.9° |
| O2 | C2 | C5 | HC51 | 99.7° | 60.1° |
| O2 | C2 | C5 | HC52 | 150.8° | 180.0° |
| C3 | C2 | C5 | HC2 | 119.3° | 120.0° |
| C2 | C3 | C4 | HC31 | 125.3° | 119.9° |
| C2 | C3 | C4 | HC32 | 125.2° | 120.1° |
| C2 | C3 | HC31 | HC32 | 118.8° | 120.0° |
| C2 | C3 | C4 | HC41 | 179.9° | 180.0° |
| C2 | C3 | C4 | HC42 | 54.8° | 59.9° |
| C2 | C3 | C4 | HC43 | 54.7° | 60.0° |
| C3 | C2 | C5 | O3 | 147.7° | 180.0° |
| C3 | C2 | C5 | HC51 | 22.5° | 60.0° |
| C3 | C2 | C5 | HC52 | 87.0° | 59.9° |
| C5 | C2 | C3 | C4 | 167.8° | 180.0° |
| C5 | C2 | C3 | HC31 | 42.5° | 60.1° |
| C5 | C2 | C3 | HC32 | 67.0° | 59.9° |
| C2 | C5 | O3 | HC51 | 125.2° | 120.0° |
| C2 | C5 | O3 | HC52 | 125.3° | 120.1° |
| C2 | C5 | HC51 | HC52 | 117.4° | 120.0° |
| C2 | C5 | O3 | C10 | 179.6° | 180.0° |
| HC2 | C2 | C3 | C4 | 47.7° | 60.0° |
| HC2 | C2 | C3 | HC31 | 77.6° | 180.0° |
| HC2 | C2 | C3 | HC32 | 172.9° | 60.0° |
| HC2 | C2 | C5 | O3 | 93.0° | 60.0° |
| HC2 | C2 | C5 | HC51 | 141.8° | 179.9° |
| HC2 | C2 | C5 | HC52 | 32.3° | 60.1° |
| C4 | C3 | HC31 | HC32 | 118.8° | 120.0° |
| C3 | C4 | HC41 | HC42 | 125.2° | 120.1° |
| C3 | C4 | HC41 | HC43 | 125.3° | 120.0° |
| C3 | C4 | HC42 | HC43 | 118.9° | 120.0° |
| HC31 | C3 | C4 | HC41 | 54.8° | 60.1° |
| HC31 | C3 | C4 | HC42 | 179.9° | 60.0° |
| HC31 | C3 | C4 | HC43 | 70.5° | 180.0° |
| HC32 | C3 | C4 | HC41 | 54.7° | 59.9° |
| HC32 | C3 | C4 | HC42 | 70.4° | 180.0° |
| HC32 | C3 | C4 | HC43 | 180.0° | 60.0° |
| HC41 | C4 | HC42 | HC43 | 118.8° | 119.9° |
| O3 | C5 | HC51 | HC52 | 117.4° | 120.0° |
| C5 | O3 | C10 | C9 | 136.8° | 180.0° |
| C5 | O3 | C10 | C11 | 43.9° | 0.3° |
| HC51 | C5 | O3 | C10 | 54.4° | 60.0° |
| HC52 | C5 | O3 | C10 | 55.1° | 59.9° |
| O3 | C10 | C11 | C6 | 179.6° | 179.7° |
| O3 | C10 | C9 | C8 | 179.5° | 180.0° |
| O3 | C10 | C9 | C11 | 179.4° | 179.7° |
| O3 | C10 | C9 | HC9 | 0.5° | 0.1° |
| O3 | C10 | C11 | H11 | 0.4° | 0.2° |
| C7 | C6 | C11 | HC6 | 180.0° | 179.7° |
| C6 | C7 | C8 | HC7 | 179.9° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.1° |
| C6 | C7 | C8 | HC8 | 179.8° | 179.9° |
| C7 | C6 | C11 | C10 | 0.1° | 0.5° |
| C7 | C6 | C11 | H11 | 179.8° | 180.0° |
| C11 | C6 | C7 | C8 | 0.0° | 0.2° |
| C11 | C6 | C7 | HC7 | 180.0° | 179.7° |
| C6 | C11 | C10 | C9 | 0.2° | 0.5° |
| C6 | C11 | C10 | H11 | 179.9° | 179.5° |
| HC6 | C6 | C7 | C8 | 179.9° | 179.9° |
| HC6 | C6 | C7 | HC7 | 0.0° | 0.0° |
| HC6 | C6 | C11 | C10 | 179.9° | 179.8° |
| HC6 | C6 | C11 | H11 | 0.2° | 0.3° |
| C7 | C8 | C9 | HC8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.0° | 0.1° |
| C7 | C8 | C9 | HC9 | 180.0° | 179.9° |
| HC7 | C7 | C8 | C9 | 179.9° | 180.0° |
| HC7 | C7 | C8 | HC8 | 0.1° | 0.1° |
| C8 | C9 | C10 | HC9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.2° |
| HC8 | C8 | C9 | C10 | 179.9° | 179.9° |
| HC8 | C8 | C9 | HC9 | 0.1° | 0.0° |
| C9 | C10 | C11 | H11 | 179.7° | 180.0° |
| HC9 | C9 | C10 | C11 | 179.9° | 179.8° |
