0UZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL3 | C3 | sing | 1.74Å | 1.80Å | |
| O4 | C4 | sing | 1.36Å | 1.38Å | |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | CA | sing | 1.51Å | 1.49Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 35.06Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL3 | C3 | C4 | 123.3° | 120.0° |
| CL3 | C3 | C2 | 115.6° | 120.0° |
| O4 | C4 | C3 | 122.5° | 120.1° |
| O4 | C4 | C5 | 118.4° | 120.0° |
| C4 | O4 | H7 | 109.5° | 114.0° |
| C4 | C3 | C2 | 121.1° | 119.9° |
| C3 | C4 | C5 | 119.0° | 119.9° |
| C3 | C2 | C1 | 119.5° | 120.0° |
| C3 | C2 | H6 | 120.3° | 120.0° |
| C4 | C5 | C6 | 120.1° | 119.9° |
| C4 | C5 | H8 | 119.9° | 120.1° |
| C2 | C1 | C6 | 120.5° | 120.2° |
| C2 | C1 | CA | 119.8° | 119.9° |
| C1 | C2 | H6 | 120.3° | 120.0° |
| C5 | C6 | C1 | 119.8° | 120.1° |
| C6 | C5 | H8 | 120.0° | 120.0° |
| C5 | C6 | H9 | 120.1° | 120.0° |
| C6 | C1 | CA | 119.7° | 119.9° |
| C1 | C6 | H9 | 120.1° | 120.0° |
| C1 | CA | N | 113.2° | 109.5° |
| C1 | CA | C | 106.7° | 109.5° |
| C1 | CA | HA | 106.7° | 109.5° |
| N | CA | C | 116.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 107.0° | 109.4° |
| O | C | CA | 123.7° | 120.0° |
| O | C | OXT | 52.4° | 120.0° |
| C | CA | HA | 106.1° | 109.5° |
| CA | C | OXT | 71.3° | 120.0° |
| H | N | H2 | 109.4° | 111.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL3 | C3 | C4 | O4 | 0.5° | 0.0° |
| CL3 | C3 | C4 | C2 | 179.1° | 180.0° |
| CL3 | C3 | C4 | C5 | 179.3° | 180.0° |
| CL3 | C3 | C2 | C1 | 178.5° | 180.0° |
| CL3 | C3 | C2 | H6 | 1.5° | 0.1° |
| O4 | C4 | C3 | C5 | 179.8° | 179.9° |
| O4 | C4 | C3 | C2 | 179.6° | 179.9° |
| O4 | C4 | C5 | C6 | 179.1° | 180.0° |
| O4 | C4 | C5 | H8 | 0.8° | 0.1° |
| C4 | C3 | C2 | C1 | 0.7° | 0.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.0° |
| C4 | C3 | C2 | H6 | 179.3° | 180.0° |
| C3 | C4 | O4 | H7 | 180.0° | 89.9° |
| C3 | C4 | C5 | H8 | 179.3° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C1 | H6 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 1.1° | 0.1° |
| C3 | C2 | C1 | CA | 178.5° | 179.8° |
| C4 | C5 | C6 | H8 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.0° |
| C5 | C4 | O4 | H7 | 0.2° | 90.0° |
| C4 | C5 | C6 | H9 | 179.7° | 179.8° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C2 | C1 | C6 | CA | 177.4° | 179.7° |
| C2 | C1 | CA | N | 72.3° | 39.7° |
| C2 | C1 | CA | C | 57.2° | 80.3° |
| C2 | C1 | CA | HA | 170.3° | 159.7° |
| C2 | C1 | C6 | H9 | 179.4° | 179.7° |
| C5 | C6 | C1 | H9 | 180.0° | 179.7° |
| C5 | C6 | C1 | CA | 178.0° | 179.7° |
| C6 | C1 | CA | N | 110.3° | 140.0° |
| C6 | C1 | CA | C | 120.2° | 100.0° |
| C6 | C1 | CA | HA | 7.1° | 20.0° |
| C6 | C1 | C2 | H6 | 178.9° | 180.0° |
| C1 | C6 | C5 | H8 | 179.7° | 180.0° |
| C1 | CA | N | C | 124.2° | 120.0° |
| C1 | CA | N | HA | 117.3° | 120.0° |
| C1 | CA | C | O | 118.7° | 100.0° |
| C1 | CA | C | HA | 113.5° | 120.0° |
| C1 | CA | N | H | 180.0° | 60.0° |
| C1 | CA | N | H2 | 60.0° | 176.0° |
| CA | C1 | C2 | H6 | 1.5° | 0.3° |
| CA | C1 | C6 | H9 | 2.0° | 0.0° |
| C1 | CA | C | OXT | 120.9° | 80.0° |
| N | CA | C | O | 8.8° | 20.1° |
| N | CA | C | HA | 119.0° | 120.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 6.6° | 160.0° |
| O | C | CA | OXT | 2.2° | 179.9° |
| O | C | CA | HA | 127.8° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| C | CA | N | H | 55.8° | 60.1° |
| C | CA | N | H2 | 175.7° | 63.9° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| H | N | CA | HA | 62.7° | 179.9° |
| H2 | N | CA | HA | 57.2° | 56.1° |
| HA | CA | C | OXT | 125.6° | 40.0° |
| H8 | C5 | C6 | H9 | 0.3° | 0.3° |
