NPG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O61 | C6 | doub | 1.21Å | 1.25Å | |
| O62 | C6 | sing | 1.34Å | 1.25Å | |
| O62 | H62 | sing | 0.97Å | 0.95Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C4 | C3 | sing | 1.51Å | 1.49Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| O31 | C3 | doub | 1.21Å | 1.23Å | |
| C3 | N1 | sing | 1.35Å | 1.38Å | |
| N1 | C1 | sing | 1.46Å | 1.43Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| O11 | C2 | doub | 1.21Å | 1.25Å | |
| O12 | C2 | sing | 1.34Å | 1.25Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | CG | sing | 1.51Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CZ | HZ | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O61 | C6 | O62 | 120.4° | 120.0° |
| O61 | C6 | C5 | 119.0° | 119.9° |
| C6 | O62 | H62 | 120.4° | 120.0° |
| O62 | C6 | C5 | 120.6° | 120.1° |
| C6 | C5 | C4 | 108.0° | 109.6° |
| C6 | C5 | H51 | 112.8° | 109.5° |
| C6 | C5 | H52 | 112.8° | 109.5° |
| C4 | C5 | H51 | 112.8° | 109.4° |
| C4 | C5 | H52 | 112.8° | 109.4° |
| C5 | C4 | C3 | 103.2° | 109.6° |
| C5 | C4 | H41 | 114.6° | 109.5° |
| C5 | C4 | H42 | 114.6° | 109.4° |
| H51 | C5 | H52 | 97.7° | 109.4° |
| C3 | C4 | H41 | 114.6° | 109.5° |
| C3 | C4 | H42 | 114.6° | 109.4° |
| C4 | C3 | O31 | 124.4° | 120.0° |
| C4 | C3 | N1 | 115.6° | 120.1° |
| H41 | C4 | H42 | 95.9° | 109.4° |
| O31 | C3 | N1 | 120.0° | 119.9° |
| C3 | N1 | C1 | 111.0° | 120.1° |
| C3 | N1 | HN1 | 122.9° | 119.9° |
| C1 | N1 | HN1 | 126.1° | 120.0° |
| N1 | C1 | C2 | 116.3° | 109.5° |
| N1 | C1 | CG | 105.3° | 109.6° |
| N1 | C1 | H1 | 116.3° | 109.4° |
| O11 | C2 | O12 | 119.1° | 120.0° |
| O11 | C2 | C1 | 123.3° | 120.1° |
| C2 | O12 | H12 | 119.1° | 120.0° |
| O12 | C2 | C1 | 117.1° | 119.9° |
| C2 | C1 | CG | 125.0° | 109.5° |
| C2 | C1 | H1 | 88.6° | 109.4° |
| CG | C1 | H1 | 104.2° | 109.5° |
| C1 | CG | CD1 | 113.5° | 120.0° |
| C1 | CG | CD2 | 124.7° | 120.0° |
| CD1 | CG | CD2 | 121.4° | 120.0° |
| CG | CD1 | CE1 | 119.5° | 120.0° |
| CG | CD1 | HD1 | 120.1° | 120.0° |
| CG | CD2 | CE2 | 119.0° | 120.0° |
| CG | CD2 | HD2 | 120.5° | 120.0° |
| CE1 | CD1 | HD1 | 120.4° | 120.0° |
| CD1 | CE1 | CZ | 119.5° | 120.0° |
| CD1 | CE1 | HE1 | 120.0° | 120.0° |
| CE2 | CD2 | HD2 | 120.4° | 120.0° |
| CD2 | CE2 | CZ | 119.5° | 120.0° |
| CD2 | CE2 | HE2 | 120.2° | 120.1° |
| CZ | CE1 | HE1 | 120.5° | 120.0° |
| CE1 | CZ | CE2 | 120.9° | 120.0° |
| CE1 | CZ | HZ | 119.6° | 120.0° |
| CZ | CE2 | HE2 | 120.3° | 119.9° |
| CE2 | CZ | HZ | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O61 | C6 | O62 | C5 | 177.9° | 180.0° |
| O61 | C6 | O62 | H62 | 180.0° | 0.0° |
| O61 | C6 | C5 | C4 | 176.9° | 0.0° |
| O61 | C6 | C5 | H51 | 57.9° | 120.0° |
| O61 | C6 | C5 | H52 | 51.6° | 120.0° |
| O62 | C6 | C5 | C4 | 5.2° | 180.0° |
| O62 | C6 | C5 | H51 | 120.1° | 60.0° |
| O62 | C6 | C5 | H52 | 130.4° | 59.9° |
| H62 | O62 | C6 | C5 | 2.1° | 180.0° |
| C6 | C5 | C4 | H51 | 125.3° | 120.1° |
| C6 | C5 | C4 | H52 | 125.3° | 120.1° |
| C6 | C5 | H51 | H52 | 118.7° | 120.0° |
| C6 | C5 | C4 | C3 | 96.6° | 180.0° |
| C6 | C5 | C4 | H41 | 28.7° | 59.9° |
| C6 | C5 | C4 | H42 | 138.2° | 60.0° |
| C4 | C5 | H51 | H52 | 118.7° | 119.9° |
| C5 | C4 | C3 | H41 | 125.2° | 120.1° |
| C5 | C4 | C3 | H42 | 125.3° | 120.0° |
| C5 | C4 | H41 | H42 | 120.5° | 119.9° |
| C5 | C4 | C3 | O31 | 6.9° | 0.0° |
| C5 | C4 | C3 | N1 | 174.2° | 180.0° |
| H51 | C5 | C4 | C3 | 138.2° | 59.9° |
| H51 | C5 | C4 | H41 | 96.6° | 180.0° |
| H51 | C5 | C4 | H42 | 12.9° | 60.1° |
| H52 | C5 | C4 | C3 | 28.7° | 59.9° |
| H52 | C5 | C4 | H41 | 154.0° | 60.1° |
| H52 | C5 | C4 | H42 | 96.5° | 179.9° |
| C3 | C4 | H41 | H42 | 120.5° | 119.9° |
| C4 | C3 | O31 | N1 | 178.9° | 180.0° |
| C4 | C3 | N1 | C1 | 168.4° | 180.0° |
| C4 | C3 | N1 | HN1 | 11.6° | 0.0° |
| H41 | C4 | C3 | O31 | 132.1° | 120.0° |
| H41 | C4 | C3 | N1 | 48.9° | 59.9° |
| H42 | C4 | C3 | O31 | 118.4° | 120.0° |
| H42 | C4 | C3 | N1 | 60.5° | 60.0° |
| O31 | C3 | N1 | C1 | 10.6° | 0.0° |
| O31 | C3 | N1 | HN1 | 169.4° | 180.0° |
| C3 | N1 | C1 | HN1 | 180.0° | 180.0° |
| C3 | N1 | C1 | C2 | 62.6° | 89.9° |
| C3 | N1 | C1 | CG | 154.4° | 150.0° |
| C3 | N1 | C1 | H1 | 39.7° | 30.0° |
| N1 | C1 | C2 | O11 | 29.2° | 150.0° |
| N1 | C1 | C2 | O12 | 142.5° | 30.1° |
| N1 | C1 | C2 | CG | 134.9° | 120.1° |
| N1 | C1 | C2 | H1 | 118.8° | 119.9° |
| N1 | C1 | CG | H1 | 122.8° | 120.0° |
| N1 | C1 | CG | CD1 | 113.3° | 30.3° |
| N1 | C1 | CG | CD2 | 59.3° | 150.0° |
| HN1 | N1 | C1 | C2 | 117.5° | 90.1° |
| HN1 | N1 | C1 | CG | 25.5° | 30.0° |
| HN1 | N1 | C1 | H1 | 140.2° | 150.0° |
| O11 | C2 | O12 | C1 | 172.1° | 180.0° |
| O11 | C2 | O12 | H12 | 180.0° | 0.0° |
| O11 | C2 | C1 | CG | 105.6° | 89.9° |
| O11 | C2 | C1 | H1 | 148.0° | 30.0° |
| O12 | C2 | C1 | CG | 82.6° | 90.1° |
| O12 | C2 | C1 | H1 | 23.7° | 150.0° |
| H12 | O12 | C2 | C1 | 7.9° | 180.0° |
| C2 | C1 | CG | H1 | 98.3° | 119.9° |
| C2 | C1 | CG | CD1 | 107.9° | 89.8° |
| C2 | C1 | CG | CD2 | 79.5° | 89.9° |
| C1 | CG | CD1 | CD2 | 172.9° | 179.8° |
| C1 | CG | CD1 | CE1 | 176.6° | 179.8° |
| C1 | CG | CD1 | HD1 | 3.4° | 0.2° |
| C1 | CG | CD2 | CE2 | 177.2° | 180.0° |
| C1 | CG | CD2 | HD2 | 2.8° | 0.0° |
| H1 | C1 | CG | CD1 | 9.6° | 150.3° |
| H1 | C1 | CG | CD2 | 177.8° | 30.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.6° |
| CD1 | CG | CD2 | CE2 | 5.1° | 0.3° |
| CD1 | CG | CD2 | HD2 | 174.9° | 179.8° |
| CG | CD1 | CE1 | CZ | 0.9° | 0.4° |
| CG | CD1 | CE1 | HE1 | 179.2° | 179.8° |
| CD2 | CG | CD1 | CE1 | 3.7° | 0.5° |
| CD2 | CG | CD1 | HD1 | 176.3° | 179.9° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 3.7° | 0.1° |
| CG | CD2 | CE2 | HE2 | 176.4° | 179.9° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.8° |
| CD1 | CE1 | CZ | CE2 | 0.5° | 0.2° |
| CD1 | CE1 | CZ | HZ | 179.5° | 179.9° |
| HD1 | CD1 | CE1 | CZ | 179.2° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.8° | 0.2° |
| CD2 | CE2 | CZ | CE1 | 0.9° | 0.0° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | HZ | 179.1° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 176.3° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 3.6° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 179.1° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 179.5° | 180.0° |
| HE1 | CE1 | CZ | HZ | 0.5° | 0.1° |
| HE2 | CE2 | CZ | HZ | 0.9° | 0.1° |
