9D9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1P | P | doub | 1.48Å | 1.50Å | |
| F1 | C14 | sing | 1.40Å | 1.36Å | |
| F2 | C14 | sing | 1.40Å | 1.34Å | |
| C14 | P | sing | 1.82Å | 1.83Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| P | O2P | sing | 1.61Å | 1.57Å | |
| P | O3P | sing | 1.61Å | 1.60Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| N3 | C4 | sing | 1.35Å | 1.43Å | |
| N3 | C2 | doub | 1.31Å | 1.25Å | |
| C9 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.35Å | 1.35Å | Aromatic |
| N2 | C2 | sing | 1.37Å | 1.35Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.37Å | 1.44Å | |
| C8 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| C5 | N7 | sing | 1.38Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.38Å | |
| N1 | C6 | sing | 1.35Å | 1.44Å | |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| O2P | H1 | sing | 0.97Å | 0.95Å | |
| O3P | H2 | sing | 0.97Å | 0.95Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| N7 | H12 | sing | 0.97Å | 1.00Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | C14 | 107.7° | 109.5° |
| O1P | P | O2P | 113.9° | 109.4° |
| O1P | P | O3P | 110.7° | 109.5° |
| F1 | C14 | F2 | 108.4° | 109.5° |
| F1 | C14 | P | 108.2° | 109.5° |
| F1 | C14 | C13 | 109.1° | 109.5° |
| F2 | C14 | P | 108.9° | 109.5° |
| F2 | C14 | C13 | 111.4° | 109.4° |
| P | C14 | C13 | 110.8° | 109.5° |
| C14 | P | O2P | 110.3° | 109.5° |
| C14 | P | O3P | 104.4° | 109.5° |
| C14 | C13 | C12 | 109.9° | 109.5° |
| C14 | C13 | H3 | 109.4° | 109.5° |
| C14 | C13 | H4 | 109.4° | 109.5° |
| O2P | P | O3P | 109.5° | 109.5° |
| P | O2P | H1 | 109.5° | 114.0° |
| P | O3P | H2 | 109.5° | 114.0° |
| C13 | C12 | C11 | 111.4° | 109.4° |
| C12 | C13 | H3 | 109.4° | 109.5° |
| C12 | C13 | H4 | 109.4° | 109.5° |
| C13 | C12 | H5 | 109.0° | 109.5° |
| C13 | C12 | H6 | 109.0° | 109.5° |
| C12 | C11 | C10 | 111.4° | 109.4° |
| C11 | C12 | H5 | 109.0° | 109.4° |
| C11 | C12 | H6 | 109.0° | 109.5° |
| C12 | C11 | H7 | 109.0° | 109.4° |
| C12 | C11 | H8 | 109.0° | 109.5° |
| C11 | C10 | C9 | 112.0° | 109.5° |
| C10 | C11 | H7 | 109.0° | 109.5° |
| C10 | C11 | H8 | 109.0° | 109.4° |
| C11 | C10 | H9 | 108.8° | 109.5° |
| C11 | C10 | H10 | 108.8° | 109.4° |
| C10 | C9 | C4 | 125.3° | 126.0° |
| C10 | C9 | C8 | 127.7° | 126.1° |
| C9 | C10 | H9 | 108.8° | 109.5° |
| C9 | C10 | H10 | 108.8° | 109.4° |
| C4 | N3 | C2 | 115.5° | 121.0° |
| N3 | C4 | C9 | 127.6° | 133.9° |
| N3 | C4 | C5 | 123.7° | 119.5° |
| N3 | C2 | N2 | 123.7° | 119.1° |
| N3 | C2 | N1 | 126.0° | 121.8° |
| C4 | C9 | C8 | 107.0° | 107.9° |
| C9 | C4 | C5 | 108.7° | 106.6° |
| C9 | C8 | N7 | 108.7° | 109.5° |
| C9 | C8 | H11 | 125.7° | 125.2° |
| N2 | C2 | N1 | 110.2° | 119.0° |
| C2 | N2 | H13 | 120.0° | 120.0° |
| C2 | N2 | H14 | 120.0° | 120.0° |
| C4 | C5 | N7 | 105.0° | 107.3° |
| C4 | C5 | C6 | 119.6° | 118.7° |
| C2 | N1 | C6 | 118.4° | 120.4° |
| C2 | N1 | H15 | 120.8° | 119.8° |
| C8 | N7 | C5 | 110.7° | 108.7° |
| N7 | C8 | H11 | 125.7° | 125.2° |
| C8 | N7 | H12 | 124.7° | 125.6° |
| N7 | C5 | C6 | 135.4° | 134.0° |
| C5 | N7 | H12 | 124.6° | 125.7° |
| C5 | C6 | N1 | 116.7° | 118.5° |
| C5 | C6 | O6 | 125.3° | 120.7° |
| N1 | C6 | O6 | 118.0° | 120.8° |
| C6 | N1 | H15 | 120.8° | 119.8° |
| H3 | C13 | H4 | 109.4° | 109.4° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.4° |
| H13 | N2 | H14 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | C14 | F1 | 50.3° | 60.0° |
| O1P | P | C14 | F2 | 67.4° | 60.0° |
| O1P | P | C14 | O2P | 124.8° | 120.0° |
| O1P | P | C14 | O3P | 117.7° | 120.0° |
| O1P | P | C14 | C13 | 169.9° | 180.0° |
| O1P | P | O2P | O3P | 124.5° | 120.0° |
| O1P | P | O2P | H1 | 0.0° | 60.0° |
| O1P | P | O3P | H2 | 0.0° | 180.0° |
| F1 | C14 | F2 | P | 117.5° | 120.0° |
| F1 | C14 | F2 | C13 | 120.1° | 120.0° |
| F1 | C14 | P | C13 | 119.6° | 120.0° |
| F1 | C14 | P | O2P | 74.6° | 180.0° |
| F1 | C14 | P | O3P | 167.9° | 60.0° |
| F1 | C14 | C13 | C12 | 76.4° | 60.0° |
| F1 | C14 | C13 | H3 | 163.5° | 179.9° |
| F1 | C14 | C13 | H4 | 43.7° | 60.0° |
| F2 | C14 | P | C13 | 122.8° | 120.0° |
| F2 | C14 | P | O2P | 167.8° | 60.0° |
| F2 | C14 | P | O3P | 50.3° | 180.0° |
| F2 | C14 | C13 | C12 | 43.2° | 60.0° |
| F2 | C14 | C13 | H3 | 76.9° | 60.1° |
| F2 | C14 | C13 | H4 | 163.3° | 180.0° |
| C14 | P | O2P | O3P | 114.3° | 120.0° |
| P | C14 | C13 | C12 | 164.6° | 180.0° |
| C14 | P | O2P | H1 | 121.2° | 180.0° |
| C14 | P | O3P | H2 | 115.6° | 60.0° |
| P | C14 | C13 | H3 | 44.5° | 60.0° |
| P | C14 | C13 | H4 | 75.4° | 60.0° |
| C13 | C14 | P | O2P | 45.0° | 60.0° |
| C13 | C14 | P | O3P | 72.5° | 60.0° |
| C14 | C13 | C12 | H3 | 120.1° | 120.0° |
| C14 | C13 | C12 | H4 | 120.1° | 120.0° |
| C14 | C13 | C12 | C11 | 178.8° | 180.0° |
| C14 | C13 | H3 | H4 | 119.8° | 120.0° |
| C14 | C13 | C12 | H5 | 60.9° | 60.0° |
| C14 | C13 | C12 | H6 | 58.5° | 60.0° |
| O2P | P | O3P | H2 | 126.3° | 60.0° |
| O3P | P | O2P | H1 | 124.5° | 60.0° |
| C13 | C12 | C11 | H5 | 120.3° | 119.9° |
| C13 | C12 | C11 | H6 | 120.3° | 120.0° |
| C13 | C12 | C11 | C10 | 50.6° | 180.0° |
| C12 | C13 | H3 | H4 | 119.8° | 120.0° |
| C13 | C12 | H5 | H6 | 119.1° | 120.1° |
| C13 | C12 | C11 | H7 | 69.7° | 60.1° |
| C13 | C12 | C11 | H8 | 170.9° | 60.0° |
| C12 | C11 | C10 | H7 | 120.3° | 119.9° |
| C12 | C11 | C10 | H8 | 120.3° | 120.0° |
| C12 | C11 | C10 | C9 | 170.5° | 179.9° |
| C11 | C12 | C13 | H3 | 58.7° | 60.0° |
| C11 | C12 | C13 | H4 | 61.1° | 60.0° |
| C11 | C12 | H5 | H6 | 119.1° | 120.0° |
| C12 | C11 | H7 | H8 | 119.1° | 120.1° |
| C12 | C11 | C10 | H9 | 50.1° | 60.0° |
| C12 | C11 | C10 | H10 | 69.1° | 60.0° |
| C11 | C10 | C9 | H9 | 120.4° | 120.1° |
| C11 | C10 | C9 | H10 | 120.4° | 120.0° |
| C11 | C10 | C9 | C4 | 96.9° | 85.0° |
| C11 | C10 | C9 | C8 | 83.1° | 94.7° |
| C10 | C11 | C12 | H5 | 170.9° | 60.0° |
| C10 | C11 | C12 | H6 | 69.6° | 60.0° |
| C10 | C11 | H7 | H8 | 119.1° | 120.0° |
| C11 | C10 | H9 | H10 | 118.8° | 120.0° |
| C10 | C9 | C4 | N3 | 0.1° | 0.1° |
| C10 | C9 | C4 | C8 | 180.0° | 179.7° |
| C10 | C9 | C4 | C5 | 179.9° | 179.9° |
| C10 | C9 | C8 | N7 | 180.0° | 179.9° |
| C9 | C10 | C11 | H7 | 69.2° | 60.0° |
| C9 | C10 | C11 | H8 | 50.2° | 60.0° |
| C9 | C10 | H9 | H10 | 118.8° | 120.0° |
| C10 | C9 | C8 | H11 | 0.0° | 0.0° |
| N3 | C4 | C9 | C5 | 180.0° | 179.9° |
| N3 | C4 | C9 | C8 | 179.9° | 179.8° |
| C4 | N3 | C2 | N2 | 178.0° | 180.0° |
| C4 | N3 | C2 | N1 | 0.4° | 0.0° |
| N3 | C4 | C5 | N7 | 179.9° | 179.8° |
| N3 | C4 | C5 | C6 | 1.3° | 0.1° |
| C2 | N3 | C4 | C9 | 178.9° | 180.0° |
| N3 | C2 | N2 | N1 | 177.9° | 180.0° |
| C2 | N3 | C4 | C5 | 1.1° | 0.1° |
| N3 | C2 | N1 | C6 | 0.1° | 0.3° |
| N3 | C2 | N2 | H13 | 0.0° | 0.0° |
| N3 | C2 | N2 | H14 | 180.0° | 180.0° |
| N3 | C2 | N1 | H15 | 179.9° | 180.0° |
| C4 | C9 | C8 | N7 | 0.0° | 0.2° |
| C9 | C4 | C5 | N7 | 0.1° | 0.3° |
| C9 | C4 | C5 | C6 | 178.7° | 179.8° |
| C4 | C9 | C10 | H9 | 23.5° | 35.0° |
| C4 | C9 | C10 | H10 | 142.7° | 155.0° |
| C4 | C9 | C8 | H11 | 180.0° | 179.8° |
| C8 | C9 | C4 | C5 | 0.1° | 0.3° |
| C9 | C8 | N7 | H11 | 180.0° | 180.0° |
| C9 | C8 | N7 | C5 | 0.1° | 0.0° |
| C8 | C9 | C10 | H9 | 156.5° | 145.3° |
| C8 | C9 | C10 | H10 | 37.3° | 25.3° |
| C9 | C8 | N7 | H12 | 179.9° | 180.0° |
| N2 | C2 | N1 | C6 | 177.8° | 179.7° |
| C2 | N2 | H13 | H14 | 180.0° | 180.0° |
| N2 | C2 | N1 | H15 | 2.2° | 0.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.2° |
| C4 | C5 | N7 | C6 | 178.5° | 179.9° |
| C4 | C5 | C6 | N1 | 0.7° | 0.4° |
| C4 | C5 | C6 | O6 | 179.0° | 179.8° |
| C4 | C5 | N7 | H12 | 179.8° | 179.8° |
| C2 | N1 | C6 | C5 | 0.1° | 0.5° |
| C2 | N1 | C6 | H15 | 180.0° | 179.7° |
| C2 | N1 | C6 | O6 | 179.7° | 179.9° |
| N1 | C2 | N2 | H13 | 177.9° | 180.0° |
| N1 | C2 | N2 | H14 | 2.1° | 0.0° |
| C8 | N7 | C5 | H12 | 180.0° | 180.0° |
| C8 | N7 | C5 | C6 | 178.4° | 179.9° |
| N7 | C5 | C6 | N1 | 179.1° | 179.4° |
| N7 | C5 | C6 | O6 | 0.6° | 0.0° |
| C5 | N7 | C8 | H11 | 179.9° | 180.0° |
| C5 | C6 | N1 | O6 | 179.7° | 179.4° |
| C6 | C5 | N7 | H12 | 1.6° | 0.0° |
| C5 | C6 | N1 | H15 | 180.0° | 179.7° |
| O6 | C6 | N1 | H15 | 0.3° | 0.4° |
| H3 | C13 | C12 | H5 | 179.0° | 179.9° |
| H3 | C13 | C12 | H6 | 61.6° | 60.0° |
| H4 | C13 | C12 | H5 | 59.2° | 60.0° |
| H4 | C13 | C12 | H6 | 178.6° | 180.0° |
| H5 | C12 | C11 | H7 | 50.7° | 180.0° |
| H5 | C12 | C11 | H8 | 68.8° | 59.9° |
| H6 | C12 | C11 | H7 | 170.1° | 60.0° |
| H6 | C12 | C11 | H8 | 50.7° | 180.0° |
| H7 | C11 | C10 | H9 | 170.4° | 179.9° |
| H7 | C11 | C10 | H10 | 51.2° | 59.9° |
| H8 | C11 | C10 | H9 | 70.2° | 60.0° |
| H8 | C11 | C10 | H10 | 170.6° | 180.0° |
| H11 | C8 | N7 | H12 | 0.2° | 0.0° |
