FQP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1A | C2A | doub | 1.32Å | 1.38Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.37Å | Aromatic |
| C2A | CM2 | sing | 1.51Å | 1.47Å | |
| C2A | N3A | sing | 1.32Å | 1.33Å | Aromatic |
| CM2 | F1 | sing | 1.40Å | 1.31Å | |
| CM2 | F2 | sing | 1.40Å | 1.33Å | |
| CM2 | F3 | sing | 1.40Å | 1.31Å | |
| N3A | C4A | doub | 1.33Å | 1.39Å | Aromatic |
| C4A | N4A | sing | 1.38Å | 1.32Å | |
| C4A | C5A | sing | 1.40Å | 1.46Å | Aromatic |
| N4A | H4A1 | sing | 0.97Å | 1.02Å | |
| N4A | H4A2 | sing | 0.97Å | 1.02Å | |
| C5A | C6A | doub | 1.38Å | 1.37Å | Aromatic |
| C5A | C7A | sing | 1.51Å | 1.51Å | |
| C6A | H6A1 | sing | 1.08Å | 1.10Å | |
| C7A | O1 | sing | 1.43Å | 1.44Å | |
| C7A | H7A1 | sing | 1.09Å | 1.11Å | |
| C7A | H7A2 | sing | 1.09Å | 1.11Å | |
| O2 | P1 | sing | 1.61Å | 1.49Å | |
| O2 | HO21 | sing | 0.97Å | 0.95Å | |
| P1 | O1 | sing | 1.61Å | 1.58Å | |
| P1 | O3 | doub | 1.48Å | 1.47Å | |
| P1 | O | sing | 1.61Å | 1.60Å | |
| O | P2 | sing | 1.61Å | 1.57Å | |
| P2 | O4 | doub | 1.48Å | 1.45Å | |
| P2 | O5 | sing | 1.61Å | 1.48Å | |
| P2 | O6 | sing | 1.61Å | 1.49Å | |
| O5 | HO51 | sing | 0.97Å | 0.95Å | |
| O6 | HO61 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | N1A | C6A | 120.8° | 121.0° |
| N1A | C2A | CM2 | 117.8° | 119.1° |
| N1A | C2A | N3A | 122.2° | 121.8° |
| N1A | C6A | C5A | 121.3° | 119.2° |
| N1A | C6A | H6A1 | 119.3° | 120.4° |
| CM2 | C2A | N3A | 120.0° | 119.1° |
| C2A | CM2 | F1 | 112.1° | 109.5° |
| C2A | CM2 | F2 | 111.4° | 109.5° |
| C2A | CM2 | F3 | 108.4° | 109.5° |
| C2A | N3A | C4A | 118.4° | 120.7° |
| F1 | CM2 | F2 | 107.8° | 109.4° |
| F1 | CM2 | F3 | 107.4° | 109.5° |
| F2 | CM2 | F3 | 109.7° | 109.4° |
| N3A | C4A | N4A | 115.9° | 120.6° |
| N3A | C4A | C5A | 121.4° | 118.9° |
| N4A | C4A | C5A | 122.7° | 120.5° |
| C4A | N4A | H4A1 | 115.9° | 120.0° |
| C4A | N4A | H4A2 | 109.9° | 120.0° |
| C4A | C5A | C6A | 115.9° | 118.3° |
| C4A | C5A | C7A | 124.0° | 120.8° |
| H4A1 | N4A | H4A2 | 109.8° | 120.0° |
| C6A | C5A | C7A | 120.1° | 120.8° |
| C5A | C6A | H6A1 | 119.4° | 120.4° |
| C5A | C7A | O1 | 111.1° | 109.5° |
| C5A | C7A | H7A1 | 111.6° | 109.5° |
| C5A | C7A | H7A2 | 111.6° | 109.4° |
| O1 | C7A | H7A1 | 111.6° | 109.5° |
| O1 | C7A | H7A2 | 111.6° | 109.4° |
| C7A | O1 | P1 | 117.3° | 106.9° |
| H7A1 | C7A | H7A2 | 98.8° | 109.4° |
| P1 | O2 | HO21 | 99.9° | 106.8° |
| O2 | P1 | O1 | 99.9° | 109.5° |
| O2 | P1 | O3 | 116.2° | 109.4° |
| O2 | P1 | O | 110.7° | 109.5° |
| O1 | P1 | O3 | 115.2° | 109.4° |
| O1 | P1 | O | 110.0° | 109.5° |
| O3 | P1 | O | 105.0° | 109.5° |
| P1 | O | P2 | 136.9° | 106.8° |
| O | P2 | O4 | 104.0° | 109.5° |
| O | P2 | O5 | 106.3° | 109.5° |
| O | P2 | O6 | 100.9° | 109.5° |
| O4 | P2 | O5 | 113.8° | 109.5° |
| O4 | P2 | O6 | 113.7° | 109.5° |
| O5 | P2 | O6 | 116.0° | 109.4° |
| P2 | O5 | HO51 | 106.4° | 106.8° |
| P2 | O6 | HO61 | 100.9° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1A | C2A | CM2 | N3A | 179.6° | 179.9° |
| N1A | C2A | CM2 | F1 | 160.8° | 0.0° |
| N1A | C2A | CM2 | F2 | 40.0° | 120.0° |
| N1A | C2A | CM2 | F3 | 80.8° | 120.0° |
| N1A | C2A | N3A | C4A | 0.5° | 0.0° |
| C2A | N1A | C6A | C5A | 0.2° | 0.4° |
| C2A | N1A | C6A | H6A1 | 179.8° | 180.0° |
| C6A | N1A | C2A | CM2 | 179.1° | 180.0° |
| C6A | N1A | C2A | N3A | 0.5° | 0.1° |
| N1A | C6A | C5A | C4A | 0.1° | 0.6° |
| N1A | C6A | C5A | H6A1 | 180.0° | 179.6° |
| N1A | C6A | C5A | C7A | 179.2° | 180.0° |
| C2A | CM2 | F1 | F2 | 122.9° | 120.0° |
| C2A | CM2 | F1 | F3 | 119.0° | 120.1° |
| C2A | CM2 | F2 | F3 | 120.1° | 120.0° |
| CM2 | C2A | N3A | C4A | 179.1° | 180.0° |
| N3A | C2A | CM2 | F1 | 19.6° | 180.0° |
| N3A | C2A | CM2 | F2 | 140.4° | 60.1° |
| N3A | C2A | CM2 | F3 | 98.8° | 59.9° |
| C2A | N3A | C4A | N4A | 179.7° | 180.0° |
| C2A | N3A | C4A | C5A | 0.1° | 0.3° |
| F1 | CM2 | F2 | F3 | 116.6° | 119.9° |
| N3A | C4A | N4A | C5A | 179.9° | 179.7° |
| N3A | C4A | N4A | H4A1 | 179.9° | 0.0° |
| N3A | C4A | N4A | H4A2 | 54.8° | 179.7° |
| N3A | C4A | C5A | C6A | 0.1° | 0.6° |
| N3A | C4A | C5A | C7A | 179.1° | 180.0° |
| C4A | N4A | H4A1 | H4A2 | 125.2° | 179.7° |
| N4A | C4A | C5A | C6A | 180.0° | 179.7° |
| N4A | C4A | C5A | C7A | 0.7° | 0.3° |
| C5A | C4A | N4A | H4A1 | 0.2° | 179.8° |
| C5A | C4A | N4A | H4A2 | 125.3° | 0.6° |
| C4A | C5A | C6A | C7A | 179.3° | 179.4° |
| C4A | C5A | C6A | H6A1 | 179.9° | 179.8° |
| C4A | C5A | C7A | O1 | 70.5° | 179.4° |
| C4A | C5A | C7A | H7A1 | 164.2° | 60.5° |
| C4A | C5A | C7A | H7A2 | 54.7° | 59.5° |
| C6A | C5A | C7A | O1 | 110.2° | 0.0° |
| C6A | C5A | C7A | H7A1 | 15.0° | 120.1° |
| C6A | C5A | C7A | H7A2 | 124.5° | 119.9° |
| C7A | C5A | C6A | H6A1 | 0.8° | 0.4° |
| C5A | C7A | O1 | H7A1 | 125.3° | 120.0° |
| C5A | C7A | O1 | H7A2 | 125.3° | 120.0° |
| C5A | C7A | H7A1 | H7A2 | 117.5° | 119.9° |
| C5A | C7A | O1 | P1 | 179.5° | 180.0° |
| O1 | C7A | H7A1 | H7A2 | 117.5° | 120.0° |
| C7A | O1 | P1 | O2 | 179.3° | 59.9° |
| C7A | O1 | P1 | O3 | 54.0° | 60.0° |
| C7A | O1 | P1 | O | 64.3° | 180.0° |
| H7A1 | C7A | O1 | P1 | 55.2° | 59.9° |
| H7A2 | C7A | O1 | P1 | 54.2° | 60.0° |
| O2 | P1 | O1 | O3 | 125.2° | 119.9° |
| O2 | P1 | O1 | O | 116.4° | 120.0° |
| O2 | P1 | O3 | O | 122.6° | 120.0° |
| O2 | P1 | O | P2 | 70.0° | 60.0° |
| HO21 | O2 | P1 | O1 | 180.0° | 60.0° |
| HO21 | O2 | P1 | O3 | 55.4° | 180.0° |
| HO21 | O2 | P1 | O | 64.2° | 60.0° |
| O1 | P1 | O3 | O | 121.1° | 120.1° |
| O1 | P1 | O | P2 | 39.5° | 180.0° |
| O3 | P1 | O | P2 | 164.0° | 60.0° |
| P1 | O | P2 | O4 | 57.6° | 60.0° |
| P1 | O | P2 | O5 | 62.8° | 180.0° |
| P1 | O | P2 | O6 | 175.7° | 60.0° |
| O | P2 | O4 | O5 | 115.3° | 120.0° |
| O | P2 | O4 | O6 | 108.9° | 120.0° |
| O | P2 | O5 | O6 | 111.3° | 120.0° |
| O | P2 | O5 | HO51 | 180.0° | 180.0° |
| O | P2 | O6 | HO61 | 180.0° | 60.0° |
| O4 | P2 | O5 | O6 | 134.8° | 120.0° |
| O4 | P2 | O5 | HO51 | 66.1° | 60.0° |
| O4 | P2 | O6 | HO61 | 69.2° | 180.0° |
| O5 | P2 | O6 | HO61 | 65.6° | 60.0° |
| O6 | P2 | O5 | HO51 | 68.7° | 60.0° |
