FP5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C5 | doub | 1.21Å | 1.24Å | |
| C5 | N4 | sing | 1.35Å | 1.34Å | |
| C5 | C7 | sing | 1.51Å | 1.52Å | |
| N4 | C3 | sing | 1.47Å | 1.46Å | |
| C3 | B | sing | 1.57Å | 1.60Å | |
| B | O1 | sing | 1.42Å | 1.45Å | |
| B | O2 | sing | 1.42Å | 1.45Å | |
| C7 | CG | sing | 1.51Å | 1.52Å | |
| CG | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | doub | 1.38Å | 1.38Å | Aromatic |
| CZ | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CE1 | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| O1 | HB1 | sing | 0.97Å | 0.95Å | |
| O2 | HB2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C5 | N4 | 123.5° | 120.0° |
| O6 | C5 | C7 | 122.8° | 120.0° |
| N4 | C5 | C7 | 113.7° | 120.0° |
| C5 | N4 | C3 | 128.5° | 120.0° |
| C5 | N4 | H4 | 115.7° | 120.0° |
| C5 | C7 | CG | 103.3° | 109.5° |
| C5 | C7 | H71C | 111.6° | 109.5° |
| C5 | C7 | H72C | 112.9° | 109.4° |
| N4 | C3 | B | 109.4° | 109.5° |
| C3 | N4 | H4 | 115.7° | 119.9° |
| N4 | C3 | H31C | 109.5° | 109.5° |
| N4 | C3 | H32C | 109.5° | 109.4° |
| C3 | B | O1 | 117.4° | 120.0° |
| C3 | B | O2 | 79.9° | 120.0° |
| B | C3 | H31C | 109.5° | 109.5° |
| B | C3 | H32C | 109.5° | 109.5° |
| O1 | B | O2 | 120.0° | 120.0° |
| B | O1 | HB1 | 109.5° | 114.0° |
| B | O2 | HB2 | 109.5° | 114.0° |
| C7 | CG | CD2 | 120.0° | 120.0° |
| C7 | CG | CD1 | 120.2° | 120.0° |
| CG | C7 | H71C | 111.6° | 109.5° |
| CG | C7 | H72C | 112.9° | 109.5° |
| CD2 | CG | CD1 | 119.8° | 120.0° |
| CG | CD2 | CE2 | 120.7° | 120.0° |
| CG | CD2 | HD2 | 119.7° | 120.0° |
| CG | CD1 | CE1 | 119.2° | 120.0° |
| CG | CD1 | HD1 | 120.4° | 120.0° |
| CD2 | CE2 | CZ | 119.7° | 119.9° |
| CE2 | CD2 | HD2 | 119.6° | 120.0° |
| CD2 | CE2 | HE2 | 120.1° | 120.0° |
| CE2 | CZ | CE1 | 119.5° | 120.0° |
| CZ | CE2 | HE2 | 120.1° | 120.0° |
| CE2 | CZ | HZ | 120.2° | 120.0° |
| CZ | CE1 | CD1 | 121.0° | 120.0° |
| CE1 | CZ | HZ | 120.2° | 120.0° |
| CZ | CE1 | HE1 | 119.5° | 120.0° |
| CE1 | CD1 | HD1 | 120.4° | 120.0° |
| CD1 | CE1 | HE1 | 119.5° | 120.0° |
| H71C | C7 | H72C | 104.8° | 109.4° |
| H31C | C3 | H32C | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C5 | N4 | C7 | 178.7° | 179.8° |
| O6 | C5 | N4 | C3 | 0.5° | 0.1° |
| O6 | C5 | C7 | CG | 103.4° | 0.0° |
| O6 | C5 | N4 | H4 | 179.5° | 180.0° |
| O6 | C5 | C7 | H71C | 16.6° | 120.0° |
| O6 | C5 | C7 | H72C | 134.3° | 120.1° |
| C5 | N4 | C3 | H4 | 180.0° | 179.9° |
| C5 | N4 | C3 | B | 142.3° | 95.0° |
| N4 | C5 | C7 | CG | 75.3° | 179.8° |
| N4 | C5 | C7 | H71C | 164.7° | 60.2° |
| N4 | C5 | C7 | H72C | 47.0° | 59.7° |
| C5 | N4 | C3 | H31C | 97.7° | 145.0° |
| C5 | N4 | C3 | H32C | 22.2° | 25.0° |
| C7 | C5 | N4 | C3 | 179.2° | 179.7° |
| C5 | C7 | CG | H71C | 120.0° | 120.0° |
| C5 | C7 | CG | H72C | 122.3° | 120.0° |
| C5 | C7 | CG | CD2 | 88.6° | 90.0° |
| C5 | C7 | CG | CD1 | 89.0° | 90.2° |
| C7 | C5 | N4 | H4 | 0.8° | 0.2° |
| C5 | C7 | H71C | H72C | 122.5° | 119.9° |
| N4 | C3 | B | H31C | 120.0° | 120.0° |
| N4 | C3 | B | H32C | 120.0° | 119.9° |
| N4 | C3 | B | O1 | 43.9° | 0.0° |
| N4 | C3 | B | O2 | 74.7° | 180.0° |
| N4 | C3 | H31C | H32C | 120.0° | 120.0° |
| C3 | B | O1 | O2 | 94.1° | 180.0° |
| B | C3 | N4 | H4 | 37.8° | 85.0° |
| B | C3 | H31C | H32C | 120.0° | 120.1° |
| C3 | B | O1 | HB1 | 31.0° | 179.9° |
| C3 | B | O2 | HB2 | 86.1° | 180.0° |
| O1 | B | C3 | H31C | 164.0° | 120.0° |
| O1 | B | C3 | H32C | 76.1° | 119.9° |
| O1 | B | O2 | HB2 | 29.8° | 0.0° |
| O2 | B | C3 | H31C | 45.3° | 60.0° |
| O2 | B | C3 | H32C | 165.3° | 60.0° |
| O2 | B | O1 | HB1 | 125.1° | 0.1° |
| C7 | CG | CD2 | CD1 | 177.6° | 179.8° |
| C7 | CG | CD2 | CE2 | 178.9° | 180.0° |
| C7 | CG | CD1 | CE1 | 178.8° | 179.8° |
| CG | C7 | H71C | H72C | 122.5° | 120.0° |
| C7 | CG | CD2 | HD2 | 1.1° | 0.0° |
| C7 | CG | CD1 | HD1 | 1.2° | 0.1° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.7° | 0.0° |
| CD2 | CG | CD1 | CE1 | 1.2° | 0.4° |
| CD2 | CG | C7 | H71C | 31.4° | 30.0° |
| CD2 | CG | C7 | H72C | 149.1° | 150.0° |
| CD2 | CG | CD1 | HD1 | 178.8° | 179.7° |
| CG | CD2 | CE2 | HE2 | 179.3° | 180.0° |
| CD1 | CG | CD2 | CE2 | 1.3° | 0.2° |
| CG | CD1 | CE1 | CZ | 0.5° | 0.4° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | C7 | H71C | 151.0° | 149.7° |
| CD1 | CG | C7 | H72C | 33.3° | 29.8° |
| CD1 | CG | CD2 | HD2 | 178.7° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.5° | 179.7° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.0° | 0.0° |
| CD2 | CE2 | CZ | HZ | 180.0° | 179.9° |
| CE2 | CZ | CE1 | HZ | 180.0° | 179.9° |
| CE2 | CZ | CE1 | CD1 | 0.1° | 0.2° |
| CZ | CE2 | CD2 | HD2 | 179.3° | 179.9° |
| CE2 | CZ | CE1 | HE1 | 179.9° | 179.9° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.9° |
| CZ | CE1 | CD1 | HD1 | 179.5° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | HZ | 179.9° | 179.9° |
| H4 | N4 | C3 | H31C | 82.2° | 35.0° |
| H4 | N4 | C3 | H32C | 157.8° | 155.0° |
| HD2 | CD2 | CE2 | HE2 | 0.7° | 0.0° |
| HD1 | CD1 | CE1 | HE1 | 0.5° | 0.2° |
| HE2 | CE2 | CZ | HZ | 0.0° | 0.1° |
| HZ | CZ | CE1 | HE1 | 0.1° | 0.0° |
