L69
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | P1 | doub | 1.48Å | 1.50Å | |
| O3 | P | doub | 1.48Å | 1.50Å | |
| P1 | O5 | sing | 1.61Å | 1.49Å | |
| P1 | O4 | sing | 1.61Å | 1.55Å | |
| P1 | C6 | sing | 1.82Å | 1.84Å | |
| P | O1 | sing | 1.61Å | 1.53Å | |
| P | C6 | sing | 1.82Å | 1.84Å | |
| P | O2 | sing | 1.61Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | O | sing | 1.43Å | 1.46Å | |
| O | C5 | sing | 1.36Å | 1.41Å | |
| C5 | C | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O7 | sing | 1.36Å | 1.37Å | |
| O5 | H1 | sing | 0.97Å | 0.95Å | |
| O4 | H2 | sing | 0.97Å | 0.95Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å | |
| C | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| O7 | H11 | sing | 0.97Å | 0.95Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | P1 | O5 | 117.5° | 109.5° |
| O6 | P1 | O4 | 110.3° | 109.5° |
| O6 | P1 | C6 | 107.0° | 109.5° |
| O3 | P | O1 | 110.2° | 109.5° |
| O3 | P | C6 | 108.3° | 109.5° |
| O3 | P | O2 | 113.4° | 109.5° |
| O5 | P1 | O4 | 109.4° | 109.5° |
| O5 | P1 | C6 | 106.1° | 109.5° |
| P1 | O5 | H1 | 109.5° | 114.0° |
| O4 | P1 | C6 | 105.9° | 109.5° |
| P1 | O4 | H2 | 109.5° | 114.0° |
| P1 | C6 | P | 110.8° | 109.5° |
| P1 | C6 | C7 | 111.2° | 109.5° |
| P1 | C6 | O | 102.4° | 109.5° |
| O1 | P | C6 | 105.5° | 109.5° |
| O1 | P | O2 | 112.2° | 109.5° |
| P | O1 | H7 | 109.5° | 114.0° |
| C6 | P | O2 | 106.8° | 109.4° |
| P | C6 | C7 | 112.1° | 109.5° |
| P | C6 | O | 102.2° | 109.5° |
| P | O2 | H6 | 109.5° | 114.0° |
| C7 | C6 | O | 117.5° | 109.4° |
| C6 | C7 | H3 | 109.5° | 109.4° |
| C6 | C7 | H4 | 109.5° | 109.5° |
| C6 | C7 | H5 | 109.5° | 109.5° |
| C6 | O | C5 | 121.7° | 117.0° |
| O | C5 | C | 118.9° | 120.0° |
| O | C5 | C4 | 120.6° | 120.0° |
| C | C5 | C4 | 120.5° | 120.0° |
| C5 | C | C1 | 119.7° | 120.0° |
| C5 | C | H8 | 120.1° | 120.0° |
| C5 | C4 | C3 | 119.6° | 120.0° |
| C5 | C4 | H9 | 120.2° | 120.0° |
| C | C1 | C2 | 120.1° | 120.0° |
| C1 | C | H8 | 120.1° | 120.0° |
| C | C1 | H12 | 119.9° | 120.0° |
| C4 | C3 | C2 | 120.0° | 120.0° |
| C3 | C4 | H9 | 120.2° | 120.0° |
| C4 | C3 | H10 | 120.0° | 120.1° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C1 | C2 | O7 | 118.6° | 120.0° |
| C2 | C1 | H12 | 119.9° | 120.0° |
| C3 | C2 | O7 | 121.4° | 120.0° |
| C2 | C3 | H10 | 120.0° | 119.9° |
| C2 | O7 | H11 | 109.5° | 114.0° |
| H3 | C7 | H4 | 109.5° | 109.4° |
| H3 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | P1 | O5 | O4 | 126.7° | 120.0° |
| O6 | P1 | O5 | C6 | 119.5° | 120.0° |
| O6 | P1 | O4 | C6 | 115.4° | 120.0° |
| O6 | P1 | C6 | P | 73.3° | 111.1° |
| O6 | P1 | C6 | C7 | 52.1° | 8.9° |
| O6 | P1 | C6 | O | 178.3° | 128.9° |
| O6 | P1 | O5 | H1 | 0.0° | 60.0° |
| O6 | P1 | O4 | H2 | 0.0° | 166.2° |
| O3 | P | C6 | P1 | 58.5° | 64.4° |
| O3 | P | O1 | C6 | 116.7° | 120.0° |
| O3 | P | O1 | O2 | 127.4° | 120.0° |
| O3 | P | C6 | O2 | 122.5° | 120.0° |
| O3 | P | C6 | C7 | 66.4° | 175.5° |
| O3 | P | C6 | O | 166.9° | 55.6° |
| O3 | P | O2 | H6 | 0.0° | 180.0° |
| O3 | P | O1 | H7 | 0.0° | 59.9° |
| O5 | P1 | O4 | C6 | 114.0° | 120.0° |
| O5 | P1 | C6 | P | 52.8° | 8.9° |
| O5 | P1 | C6 | C7 | 178.2° | 128.9° |
| O5 | P1 | C6 | O | 55.5° | 111.1° |
| O5 | P1 | O4 | H2 | 130.7° | 73.8° |
| O4 | P1 | C6 | P | 169.0° | 128.9° |
| O4 | P1 | C6 | C7 | 65.6° | 111.1° |
| O4 | P1 | C6 | O | 60.7° | 8.9° |
| O4 | P1 | O5 | H1 | 126.7° | 60.0° |
| P1 | C6 | P | O1 | 59.5° | 55.6° |
| P1 | C6 | P | C7 | 124.9° | 120.0° |
| P1 | C6 | P | O | 108.4° | 120.0° |
| P1 | C6 | P | O2 | 179.0° | 175.6° |
| P1 | C6 | C7 | O | 117.4° | 120.0° |
| P1 | C6 | O | C5 | 121.7° | 58.6° |
| C6 | P1 | O5 | H1 | 119.5° | 180.0° |
| C6 | P1 | O4 | H2 | 115.4° | 46.2° |
| P1 | C6 | C7 | H3 | 180.0° | 52.3° |
| P1 | C6 | C7 | H4 | 60.0° | 172.3° |
| P1 | C6 | C7 | H5 | 60.0° | 67.7° |
| O1 | P | C6 | O2 | 119.5° | 120.0° |
| O1 | P | C6 | C7 | 175.6° | 64.4° |
| O1 | P | C6 | O | 48.9° | 175.6° |
| O1 | P | O2 | H6 | 125.6° | 60.0° |
| P | C6 | C7 | O | 118.0° | 120.0° |
| P | C6 | O | C5 | 123.5° | 178.6° |
| P | C6 | C7 | H3 | 55.4° | 67.7° |
| P | C6 | C7 | H4 | 64.6° | 52.2° |
| P | C6 | C7 | H5 | 175.4° | 172.3° |
| C6 | P | O2 | H6 | 119.3° | 60.0° |
| C6 | P | O1 | H7 | 116.7° | 180.0° |
| O2 | P | C6 | C7 | 56.1° | 55.5° |
| O2 | P | C6 | O | 70.6° | 64.4° |
| O2 | P | O1 | H7 | 127.4° | 60.1° |
| C7 | C6 | O | C5 | 0.4° | 61.4° |
| C6 | C7 | H3 | H4 | 120.0° | 120.0° |
| C6 | C7 | H3 | H5 | 120.0° | 120.0° |
| C6 | C7 | H4 | H5 | 120.0° | 120.0° |
| C6 | O | C5 | C | 78.8° | 179.0° |
| C6 | O | C5 | C4 | 100.4° | 1.3° |
| O | C6 | C7 | H3 | 62.6° | 172.3° |
| O | C6 | C7 | H4 | 177.4° | 67.8° |
| O | C6 | C7 | H5 | 57.4° | 52.3° |
| O | C5 | C | C4 | 179.1° | 179.7° |
| O | C5 | C | C1 | 179.4° | 180.0° |
| O | C5 | C4 | C3 | 179.8° | 180.0° |
| O | C5 | C | H8 | 0.6° | 0.1° |
| O | C5 | C4 | H9 | 0.2° | 0.1° |
| C5 | C | C1 | H8 | 180.0° | 179.9° |
| C | C5 | C4 | C3 | 1.1° | 0.3° |
| C5 | C | C1 | C2 | 0.9° | 0.1° |
| C | C5 | C4 | H9 | 178.9° | 179.7° |
| C5 | C | C1 | H12 | 179.1° | 180.0° |
| C4 | C5 | C | C1 | 0.3° | 0.3° |
| C5 | C4 | C3 | H9 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.7° | 0.1° |
| C4 | C5 | C | H8 | 179.7° | 179.8° |
| C5 | C4 | C3 | H10 | 179.3° | 180.0° |
| C | C1 | C2 | H12 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 1.3° | 0.2° |
| C | C1 | C2 | O7 | 175.8° | 180.0° |
| C4 | C3 | C2 | C1 | 0.5° | 0.3° |
| C4 | C3 | C2 | H10 | 180.0° | 180.0° |
| C4 | C3 | C2 | O7 | 176.5° | 180.0° |
| C1 | C2 | C3 | O7 | 177.0° | 179.7° |
| C2 | C1 | C | H8 | 179.1° | 180.0° |
| C1 | C2 | C3 | H10 | 179.5° | 179.8° |
| C1 | C2 | O7 | H11 | 180.0° | 90.3° |
| C2 | C3 | C4 | H9 | 179.3° | 180.0° |
| C3 | C2 | O7 | H11 | 2.9° | 90.0° |
| C3 | C2 | C1 | H12 | 178.7° | 179.7° |
| O7 | C2 | C3 | H10 | 3.5° | 0.0° |
| O7 | C2 | C1 | H12 | 4.2° | 0.0° |
| H3 | C7 | H4 | H5 | 120.0° | 120.0° |
| H8 | C | C1 | H12 | 0.9° | 0.1° |
| H9 | C4 | C3 | H10 | 0.7° | 0.1° |
