URT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| F1 | C3 | sing | 1.35Å | 1.36Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| O1 | C1 | sing | 1.44Å | 1.44Å | |
| P1 | O4 | doub | 1.48Å | 1.48Å | |
| P1 | C10 | sing | 1.82Å | 1.90Å | |
| C2 | C1 | sing | 1.51Å | 1.47Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | C6 | sing | 1.35Å | 1.36Å | Aromatic |
| N2 | C7 | doub | 1.30Å | 1.31Å | Aromatic |
| O2 | C1 | sing | 1.43Å | 1.36Å | |
| O2 | C10 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | doub | 1.32Å | 1.31Å | |
| O3 | P1 | sing | 1.61Å | 1.47Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O1 | sing | 1.44Å | 1.41Å | |
| C4 | C3 | sing | 1.51Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| N4 | C8 | doub | 1.32Å | 1.38Å | Aromatic |
| C5 | N1 | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | N3 | doub | 1.33Å | 1.39Å | Aromatic |
| N5 | C9 | sing | 1.38Å | 1.31Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| N5 | HN5A | sing | 0.97Å | 1.00Å | |
| C6 | C5 | sing | 1.41Å | 1.44Å | Aromatic |
| C7 | N1 | sing | 1.36Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | N4 | sing | 1.33Å | 1.38Å | Aromatic |
| C9 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| P1 | O8 | sing | 1.61Å | 1.72Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H1 | C1 | O1 | 113.5° | 110.2° |
| H1 | C1 | C2 | 113.2° | 110.2° |
| H1 | C1 | O2 | 109.0° | 110.2° |
| F1 | C3 | C2 | 125.2° | 125.8° |
| F1 | C3 | C4 | 123.2° | 125.9° |
| N1 | C4 | O1 | 111.5° | 110.2° |
| N1 | C4 | C3 | 111.9° | 110.2° |
| N1 | C4 | H4 | 105.1° | 110.2° |
| C4 | N1 | C5 | 126.0° | 126.2° |
| C4 | N1 | C7 | 128.7° | 126.3° |
| O1 | C1 | C2 | 103.8° | 105.7° |
| O1 | C1 | O2 | 108.3° | 110.2° |
| C1 | O1 | C4 | 110.2° | 103.8° |
| O4 | P1 | C10 | 107.0° | 109.5° |
| O4 | P1 | O3 | 122.5° | 109.5° |
| O4 | P1 | O8 | 95.4° | 109.4° |
| P1 | C10 | O2 | 107.9° | 109.5° |
| C10 | P1 | O3 | 111.6° | 109.5° |
| P1 | C10 | H10 | 110.0° | 109.4° |
| P1 | C10 | H10A | 110.0° | 109.5° |
| C10 | P1 | O8 | 132.1° | 109.4° |
| C1 | C2 | H2 | 125.2° | 125.8° |
| C2 | C1 | O2 | 108.8° | 110.3° |
| C1 | C2 | C3 | 109.6° | 108.4° |
| H2 | C2 | C3 | 125.2° | 125.8° |
| C6 | N2 | C7 | 102.6° | 109.4° |
| N2 | C6 | C5 | 111.1° | 107.2° |
| N2 | C6 | C9 | 134.4° | 134.7° |
| N2 | C7 | N1 | 115.7° | 110.0° |
| N2 | C7 | H7 | 122.1° | 125.0° |
| C1 | O2 | C10 | 116.6° | 114.0° |
| O2 | C10 | H10 | 110.0° | 109.5° |
| O2 | C10 | H10A | 110.0° | 109.5° |
| C2 | C3 | C4 | 111.6° | 108.3° |
| P1 | O3 | HO3 | 109.5° | 114.1° |
| O3 | P1 | O8 | 88.9° | 109.4° |
| O1 | C4 | C3 | 104.8° | 105.8° |
| O1 | C4 | H4 | 112.1° | 110.2° |
| C3 | C4 | H4 | 111.8° | 110.2° |
| N4 | C8 | N3 | 126.6° | 122.5° |
| N4 | C8 | H8 | 116.7° | 118.7° |
| C8 | N4 | C9 | 120.2° | 121.1° |
| N1 | C5 | N3 | 127.7° | 134.9° |
| N1 | C5 | C6 | 105.4° | 105.9° |
| C5 | N1 | C7 | 105.3° | 107.5° |
| N3 | C5 | C6 | 126.9° | 119.1° |
| C5 | N3 | C8 | 112.3° | 120.6° |
| C9 | N5 | HN5 | 109.5° | 120.0° |
| C9 | N5 | HN5A | 109.4° | 120.0° |
| N5 | C9 | N4 | 118.5° | 120.7° |
| N5 | C9 | C6 | 122.1° | 120.8° |
| HN5 | N5 | HN5A | 109.5° | 120.0° |
| C5 | C6 | C9 | 114.6° | 118.1° |
| N1 | C7 | H7 | 122.2° | 125.0° |
| N3 | C8 | H8 | 116.7° | 118.8° |
| N4 | C9 | C6 | 119.5° | 118.5° |
| H10 | C10 | H10A | 109.0° | 109.5° |
| P1 | O8 | HO8 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H1 | C1 | O1 | C2 | 123.3° | 119.0° |
| H1 | C1 | O1 | O2 | 121.2° | 121.8° |
| H1 | C1 | C2 | O2 | 121.2° | 121.9° |
| H1 | C1 | C2 | H2 | 56.5° | 43.6° |
| H1 | C1 | O2 | C10 | 4.7° | 49.3° |
| H1 | C1 | C2 | C3 | 123.5° | 136.4° |
| H1 | C1 | O1 | C4 | 123.3° | 146.4° |
| F1 | C3 | C4 | N1 | 58.9° | 78.3° |
| F1 | C3 | C2 | C1 | 179.7° | 180.0° |
| F1 | C3 | C2 | H2 | 0.2° | 0.0° |
| F1 | C3 | C2 | C4 | 179.7° | 180.0° |
| F1 | C3 | C4 | O1 | 179.7° | 162.7° |
| F1 | C3 | C4 | H4 | 58.6° | 43.5° |
| N1 | C4 | O1 | C1 | 121.1° | 91.7° |
| C4 | N1 | C7 | N2 | 179.2° | 179.8° |
| N1 | C4 | C3 | C2 | 120.8° | 101.7° |
| N1 | C4 | O1 | C3 | 121.1° | 119.0° |
| N1 | C4 | O1 | H4 | 117.5° | 121.8° |
| N1 | C4 | C3 | H4 | 117.5° | 121.8° |
| C4 | N1 | C5 | C7 | 179.5° | 179.7° |
| C4 | N1 | C5 | N3 | 0.4° | 0.0° |
| C4 | N1 | C5 | C6 | 179.1° | 180.0° |
| C4 | N1 | C7 | H7 | 0.8° | 0.3° |
| O1 | C1 | C2 | O2 | 115.2° | 119.1° |
| O1 | C1 | C2 | H2 | 179.9° | 162.6° |
| O1 | C1 | O2 | C10 | 128.7° | 72.5° |
| O1 | C1 | C2 | C3 | 0.1° | 17.4° |
| C1 | O1 | C4 | C3 | 0.0° | 27.3° |
| C1 | O1 | C4 | H4 | 121.4° | 146.5° |
| O4 | P1 | C10 | O3 | 136.6° | 120.1° |
| O4 | P1 | C10 | O8 | 114.1° | 120.0° |
| O4 | P1 | C10 | O2 | 154.9° | 59.9° |
| O4 | P1 | O3 | O8 | 95.7° | 120.0° |
| O4 | P1 | O3 | HO3 | 0.0° | 59.9° |
| O4 | P1 | C10 | H10 | 34.9° | 60.1° |
| O4 | P1 | C10 | H10A | 85.1° | 180.0° |
| O4 | P1 | O8 | HO8 | 0.0° | 180.0° |
| P1 | C10 | O2 | C1 | 164.3° | 75.0° |
| P1 | C10 | O2 | H10 | 120.0° | 119.9° |
| P1 | C10 | O2 | H10A | 120.0° | 120.0° |
| C10 | P1 | O3 | O8 | 135.5° | 120.0° |
| C10 | P1 | O3 | HO3 | 128.7° | 180.0° |
| P1 | C10 | H10 | H10A | 120.7° | 120.0° |
| C10 | P1 | O8 | HO8 | 118.8° | 60.0° |
| C1 | C2 | H2 | C3 | 180.0° | 179.9° |
| C2 | C1 | O2 | C10 | 119.1° | 171.1° |
| C2 | C1 | O1 | C4 | 0.0° | 27.4° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| H2 | C2 | C1 | O2 | 64.7° | 78.2° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| N2 | C6 | C5 | N1 | 0.4° | 0.1° |
| N2 | C6 | C5 | N3 | 179.9° | 180.0° |
| N2 | C6 | C9 | N5 | 0.3° | 0.1° |
| N2 | C6 | C5 | C9 | 180.0° | 179.7° |
| C6 | N2 | C7 | N1 | 0.0° | 0.5° |
| C6 | N2 | C7 | H7 | 180.0° | 180.0° |
| N2 | C6 | C9 | N4 | 180.0° | 180.0° |
| N2 | C7 | N1 | C5 | 0.3° | 0.5° |
| C7 | N2 | C6 | C5 | 0.3° | 0.3° |
| N2 | C7 | N1 | H7 | 180.0° | 179.5° |
| C7 | N2 | C6 | C9 | 179.8° | 180.0° |
| O2 | C1 | C2 | C3 | 115.3° | 101.7° |
| O2 | C1 | O1 | C4 | 115.5° | 91.8° |
| C1 | O2 | C10 | H10 | 75.7° | 45.0° |
| C1 | O2 | C10 | H10A | 44.3° | 165.0° |
| O2 | C10 | P1 | O3 | 18.3° | 180.0° |
| O2 | C10 | H10 | H10A | 120.6° | 120.0° |
| O2 | C10 | P1 | O8 | 91.0° | 60.0° |
| C2 | C3 | C4 | O1 | 0.1° | 17.3° |
| C2 | C3 | C4 | H4 | 121.7° | 136.5° |
| O3 | P1 | C10 | H10 | 101.7° | 60.0° |
| O3 | P1 | C10 | H10A | 138.3° | 60.0° |
| O3 | P1 | O8 | HO8 | 122.6° | 60.0° |
| HO3 | O3 | P1 | O8 | 95.7° | 60.1° |
| O1 | C4 | C3 | H4 | 121.6° | 119.1° |
| O1 | C4 | N1 | C5 | 135.4° | 162.4° |
| O1 | C4 | N1 | C7 | 45.2° | 17.3° |
| C3 | C4 | N1 | C5 | 107.7° | 81.3° |
| C3 | C4 | N1 | C7 | 71.7° | 99.0° |
| H4 | C4 | N1 | C5 | 13.7° | 40.5° |
| H4 | C4 | N1 | C7 | 166.9° | 139.2° |
| N4 | C8 | N3 | C5 | 0.3° | 0.3° |
| C8 | N4 | C9 | N5 | 179.8° | 179.9° |
| N4 | C8 | N3 | H8 | 180.0° | 179.8° |
| C8 | N4 | C9 | C6 | 0.1° | 0.1° |
| N1 | C5 | N3 | C6 | 179.4° | 179.9° |
| C5 | N1 | C7 | H7 | 179.7° | 180.0° |
| N1 | C5 | N3 | C8 | 179.6° | 179.9° |
| N1 | C5 | C6 | C9 | 179.6° | 179.8° |
| N3 | C5 | N1 | C7 | 179.9° | 179.7° |
| C5 | N3 | C8 | H8 | 179.7° | 179.9° |
| N3 | C5 | C6 | C9 | 0.1° | 0.3° |
| C9 | N5 | HN5 | HN5A | 120.0° | 180.0° |
| N5 | C9 | C6 | C5 | 179.8° | 179.7° |
| N5 | C9 | N4 | C6 | 179.7° | 180.0° |
| HN5 | N5 | C9 | N4 | 0.0° | 0.0° |
| HN5 | N5 | C9 | C6 | 179.7° | 180.0° |
| HN5A | N5 | C9 | N4 | 120.0° | 180.0° |
| HN5A | N5 | C9 | C6 | 60.3° | 0.0° |
| C6 | C5 | N1 | C7 | 0.4° | 0.2° |
| C6 | C5 | N3 | C8 | 0.2° | 0.0° |
| C5 | C6 | C9 | N4 | 0.0° | 0.4° |
| N3 | C8 | N4 | C9 | 0.2° | 0.2° |
| H8 | C8 | N4 | C9 | 179.7° | 180.0° |
| H10 | C10 | P1 | O8 | 149.0° | 180.0° |
| H10A | C10 | P1 | O8 | 29.0° | 60.0° |
