39L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | P2 | doub | 1.48Å | 1.52Å | |
| C4 | C3 | doub | 1.35Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
| C3 | N2 | sing | 1.36Å | 1.37Å | Aromatic |
| O5 | P2 | sing | 1.61Å | 1.51Å | |
| C5 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| P2 | O4 | sing | 1.61Å | 1.57Å | |
| P2 | C9 | sing | 1.82Å | 1.88Å | |
| C8 | C2 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| N2 | C2 | sing | 1.37Å | 1.36Å | Aromatic |
| N2 | C7 | sing | 1.37Å | 1.33Å | Aromatic |
| C2 | C1 | doub | 1.35Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C9 | F | sing | 1.40Å | 1.41Å | |
| C9 | P1 | sing | 1.82Å | 1.87Å | |
| C7 | N1 | doub | 1.33Å | 1.39Å | Aromatic |
| O2 | P1 | doub | 1.48Å | 1.53Å | |
| C1 | N1 | sing | 1.33Å | 1.36Å | Aromatic |
| P1 | O1 | sing | 1.61Å | 1.49Å | |
| P1 | O3 | sing | 1.61Å | 1.48Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| O5 | H2 | sing | 0.97Å | 0.95Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | P2 | O5 | 115.4° | 109.5° |
| O6 | P2 | O4 | 111.6° | 109.4° |
| O6 | P2 | C9 | 103.8° | 109.5° |
| C3 | C4 | C5 | 121.7° | 120.3° |
| C4 | C3 | N2 | 116.5° | 120.6° |
| C4 | C3 | H8 | 121.7° | 119.7° |
| C3 | C4 | H9 | 119.2° | 119.8° |
| C4 | C5 | C6 | 120.4° | 119.7° |
| C5 | C4 | H9 | 119.1° | 119.9° |
| C4 | C5 | H10 | 119.8° | 120.2° |
| C3 | N2 | C2 | 128.5° | 132.6° |
| C3 | N2 | C7 | 122.6° | 120.4° |
| N2 | C3 | H8 | 121.8° | 119.6° |
| O5 | P2 | O4 | 109.4° | 109.5° |
| O5 | P2 | C9 | 106.6° | 109.5° |
| P2 | O5 | H2 | 109.5° | 114.0° |
| C5 | C6 | C7 | 116.8° | 119.3° |
| C6 | C5 | H10 | 119.8° | 120.1° |
| C5 | C6 | H11 | 121.6° | 120.4° |
| O4 | P2 | C9 | 109.7° | 109.5° |
| P2 | O4 | H1 | 109.5° | 113.9° |
| P2 | C9 | C8 | 108.1° | 109.5° |
| P2 | C9 | F | 106.6° | 109.5° |
| P2 | C9 | P1 | 110.4° | 109.5° |
| C2 | C8 | C9 | 115.1° | 109.5° |
| C8 | C2 | N2 | 121.6° | 126.4° |
| C8 | C2 | C1 | 131.8° | 126.4° |
| C2 | C8 | H5 | 108.0° | 109.5° |
| C2 | C8 | H6 | 108.1° | 109.5° |
| C8 | C9 | F | 109.8° | 109.4° |
| C8 | C9 | P1 | 114.1° | 109.5° |
| C9 | C8 | H5 | 108.1° | 109.4° |
| C9 | C8 | H6 | 108.0° | 109.5° |
| C2 | N2 | C7 | 108.6° | 107.0° |
| N2 | C2 | C1 | 106.4° | 107.2° |
| N2 | C7 | C6 | 121.9° | 119.6° |
| N2 | C7 | N1 | 110.3° | 108.0° |
| C2 | C1 | N1 | 109.7° | 108.6° |
| C2 | C1 | H7 | 125.2° | 125.7° |
| C6 | C7 | N1 | 127.8° | 132.3° |
| C7 | C6 | H11 | 121.6° | 120.3° |
| F | C9 | P1 | 107.5° | 109.5° |
| C9 | P1 | O2 | 107.8° | 109.5° |
| C9 | P1 | O1 | 101.5° | 109.5° |
| C9 | P1 | O3 | 109.1° | 109.4° |
| C7 | N1 | C1 | 104.8° | 109.2° |
| O2 | P1 | O1 | 108.8° | 109.5° |
| O2 | P1 | O3 | 109.9° | 109.5° |
| N1 | C1 | H7 | 125.1° | 125.7° |
| O1 | P1 | O3 | 119.0° | 109.5° |
| P1 | O1 | H4 | 109.5° | 114.0° |
| P1 | O3 | H3 | 109.5° | 114.0° |
| H5 | C8 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | P2 | O5 | O4 | 126.8° | 120.0° |
| O6 | P2 | O5 | C9 | 114.7° | 120.0° |
| O6 | P2 | O4 | C9 | 114.5° | 120.0° |
| O6 | P2 | C9 | C8 | 52.8° | 180.0° |
| O6 | P2 | C9 | F | 65.3° | 60.0° |
| O6 | P2 | C9 | P1 | 178.2° | 60.0° |
| O6 | P2 | O4 | H1 | 0.0° | 180.0° |
| O6 | P2 | O5 | H2 | 0.0° | 59.9° |
| C3 | C4 | C5 | H9 | 180.0° | 179.9° |
| C4 | C3 | N2 | H8 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 3.0° | 0.4° |
| C4 | C3 | N2 | C2 | 174.1° | 179.9° |
| C4 | C3 | N2 | C7 | 1.6° | 0.2° |
| C3 | C4 | C5 | H10 | 177.0° | 180.0° |
| C5 | C4 | C3 | N2 | 1.8° | 0.0° |
| C4 | C5 | C6 | H10 | 180.0° | 179.6° |
| C4 | C5 | C6 | C7 | 0.9° | 0.7° |
| C5 | C4 | C3 | H8 | 178.2° | 180.0° |
| C4 | C5 | C6 | H11 | 179.1° | 180.0° |
| C3 | N2 | C2 | C8 | 6.8° | 0.1° |
| C3 | N2 | C2 | C7 | 173.3° | 179.9° |
| C3 | N2 | C2 | C1 | 176.7° | 179.7° |
| C3 | N2 | C7 | C6 | 3.8° | 0.1° |
| C3 | N2 | C7 | N1 | 175.1° | 179.7° |
| N2 | C3 | C4 | H9 | 178.2° | 179.9° |
| O5 | P2 | O4 | C9 | 116.5° | 120.0° |
| O5 | P2 | C9 | C8 | 69.5° | 60.0° |
| O5 | P2 | C9 | F | 172.4° | 180.0° |
| O5 | P2 | C9 | P1 | 55.9° | 60.0° |
| O5 | P2 | O4 | H1 | 129.0° | 60.0° |
| C5 | C6 | C7 | N2 | 2.5° | 0.5° |
| C5 | C6 | C7 | H11 | 180.0° | 179.3° |
| C5 | C6 | C7 | N1 | 176.2° | 179.2° |
| C6 | C5 | C4 | H9 | 177.0° | 179.6° |
| O4 | P2 | C9 | C8 | 172.2° | 60.0° |
| O4 | P2 | C9 | F | 54.2° | 59.9° |
| O4 | P2 | C9 | P1 | 62.3° | 180.0° |
| O4 | P2 | O5 | H2 | 126.9° | 60.0° |
| P2 | C9 | C8 | C2 | 171.6° | 180.0° |
| P2 | C9 | C8 | F | 115.9° | 120.0° |
| P2 | C9 | C8 | P1 | 123.2° | 120.1° |
| P2 | C9 | F | P1 | 118.4° | 120.0° |
| P2 | C9 | P1 | O2 | 64.2° | 55.0° |
| P2 | C9 | P1 | O1 | 50.1° | 175.0° |
| P2 | C9 | P1 | O3 | 176.5° | 65.0° |
| C9 | P2 | O4 | H1 | 114.5° | 60.0° |
| C9 | P2 | O5 | H2 | 114.6° | 180.0° |
| P2 | C9 | C8 | H5 | 50.8° | 60.1° |
| P2 | C9 | C8 | H6 | 67.6° | 60.0° |
| C2 | C8 | C9 | H5 | 120.8° | 120.0° |
| C2 | C8 | C9 | H6 | 120.8° | 120.0° |
| C8 | C2 | N2 | C1 | 176.5° | 179.7° |
| C8 | C2 | N2 | C7 | 179.9° | 179.8° |
| C2 | C8 | C9 | F | 55.7° | 60.0° |
| C2 | C8 | C9 | P1 | 65.2° | 60.0° |
| C8 | C2 | C1 | N1 | 179.7° | 180.0° |
| C2 | C8 | H5 | H6 | 117.4° | 120.0° |
| C8 | C2 | C1 | H7 | 0.3° | 0.0° |
| C9 | C8 | C2 | N2 | 154.0° | 95.3° |
| C9 | C8 | C2 | C1 | 30.4° | 85.0° |
| C8 | C9 | F | P1 | 124.7° | 120.0° |
| C8 | C9 | P1 | O2 | 57.8° | 175.0° |
| C8 | C9 | P1 | O1 | 172.0° | 65.0° |
| C8 | C9 | P1 | O3 | 61.6° | 55.0° |
| C9 | C8 | H5 | H6 | 117.4° | 120.1° |
| C2 | N2 | C7 | C6 | 177.6° | 179.8° |
| C2 | N2 | C7 | N1 | 1.3° | 0.4° |
| N2 | C2 | C1 | N1 | 4.3° | 0.3° |
| N2 | C2 | C8 | H5 | 85.2° | 144.8° |
| N2 | C2 | C8 | H6 | 33.2° | 24.8° |
| N2 | C2 | C1 | H7 | 175.7° | 179.7° |
| C2 | N2 | C3 | H8 | 5.9° | 0.0° |
| C7 | N2 | C2 | C1 | 3.4° | 0.4° |
| N2 | C7 | C6 | N1 | 178.7° | 179.7° |
| N2 | C7 | N1 | C1 | 1.3° | 0.2° |
| C7 | N2 | C3 | H8 | 178.4° | 179.8° |
| N2 | C7 | C6 | H11 | 177.5° | 179.8° |
| C2 | C1 | N1 | C7 | 3.4° | 0.0° |
| C2 | C1 | N1 | H7 | 180.0° | 180.0° |
| C1 | C2 | C8 | H5 | 90.4° | 34.9° |
| C1 | C2 | C8 | H6 | 151.3° | 154.9° |
| C6 | C7 | N1 | C1 | 179.8° | 180.0° |
| C7 | C6 | C5 | H10 | 179.1° | 179.7° |
| F | C9 | P1 | O2 | 179.9° | 65.0° |
| F | C9 | P1 | O1 | 65.9° | 55.0° |
| F | C9 | P1 | O3 | 60.5° | 175.0° |
| F | C9 | C8 | H5 | 65.1° | 180.0° |
| F | C9 | C8 | H6 | 176.5° | 60.0° |
| C9 | P1 | O2 | O1 | 109.3° | 120.0° |
| C9 | P1 | O2 | O3 | 118.8° | 119.9° |
| C9 | P1 | O1 | O3 | 119.6° | 120.0° |
| C9 | P1 | O3 | H3 | 118.0° | 60.0° |
| C9 | P1 | O1 | H4 | 113.5° | 180.0° |
| P1 | C9 | C8 | H5 | 174.0° | 60.0° |
| P1 | C9 | C8 | H6 | 55.7° | 180.0° |
| C7 | N1 | C1 | H7 | 176.6° | 180.0° |
| N1 | C7 | C6 | H11 | 3.8° | 0.1° |
| O2 | P1 | O1 | O3 | 126.9° | 120.0° |
| O2 | P1 | O3 | H3 | 0.0° | 180.0° |
| O2 | P1 | O1 | H4 | 0.0° | 60.0° |
| O1 | P1 | O3 | H3 | 126.4° | 60.0° |
| O3 | P1 | O1 | H4 | 126.9° | 60.0° |
| H8 | C3 | C4 | H9 | 1.8° | 0.0° |
| H9 | C4 | C5 | H10 | 3.0° | 0.0° |
| H10 | C5 | C6 | H11 | 0.9° | 0.4° |
