1BZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | N1 | sing | 1.42Å | 1.31Å | |
| O1 | C3 | doub | 1.22Å | 1.23Å | |
| N1 | C3 | sing | 1.35Å | 1.40Å | |
| N1 | C2 | sing | 1.36Å | 1.39Å | |
| C6 | C2 | sing | 1.51Å | 1.50Å | |
| C6 | C10 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.41Å | 1.41Å | |
| C2 | C1 | doub | 1.35Å | 1.41Å | |
| C4 | C5 | doub | 1.36Å | 1.38Å | |
| C1 | C5 | sing | 1.40Å | 1.37Å | |
| C5 | C13 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | N1 | C3 | 121.2° | 119.6° |
| O2 | N1 | C2 | 119.5° | 119.6° |
| N1 | O2 | H15 | 109.5° | 114.0° |
| O1 | C3 | N1 | 121.1° | 120.0° |
| O1 | C3 | C4 | 118.9° | 120.0° |
| C3 | N1 | C2 | 119.4° | 120.7° |
| N1 | C3 | C4 | 120.0° | 120.1° |
| N1 | C2 | C6 | 121.5° | 119.6° |
| N1 | C2 | C1 | 119.7° | 120.7° |
| C2 | C6 | C10 | 106.3° | 109.5° |
| C6 | C2 | C1 | 118.8° | 119.7° |
| C2 | C6 | H5 | 110.3° | 109.5° |
| C2 | C6 | H6 | 110.3° | 109.5° |
| C6 | C10 | C11 | 120.2° | 120.0° |
| C6 | C10 | C9 | 121.1° | 120.0° |
| C10 | C6 | H5 | 110.2° | 109.5° |
| C10 | C6 | H6 | 110.3° | 109.5° |
| C3 | C4 | C5 | 120.4° | 119.3° |
| C3 | C4 | H3 | 119.8° | 120.3° |
| C2 | C1 | C5 | 121.1° | 120.0° |
| C2 | C1 | H1 | 119.5° | 120.1° |
| C4 | C5 | C1 | 119.5° | 119.2° |
| C4 | C5 | C13 | 121.7° | 120.3° |
| C5 | C4 | H3 | 119.8° | 120.4° |
| C1 | C5 | C13 | 118.8° | 120.4° |
| C5 | C1 | H1 | 119.5° | 120.0° |
| C5 | C13 | H12 | 109.5° | 109.5° |
| C5 | C13 | H13 | 109.5° | 109.5° |
| C5 | C13 | H14 | 109.5° | 109.4° |
| C11 | C10 | C9 | 118.7° | 120.0° |
| C10 | C11 | C12 | 121.1° | 120.0° |
| C10 | C11 | H10 | 119.4° | 120.0° |
| C10 | C9 | C8 | 120.1° | 120.0° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C11 | C12 | C7 | 119.5° | 119.9° |
| C12 | C11 | H10 | 119.5° | 120.0° |
| C11 | C12 | H11 | 120.2° | 120.0° |
| C9 | C8 | C7 | 120.6° | 120.0° |
| C9 | C8 | H8 | 119.7° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C12 | C7 | C8 | 120.0° | 120.0° |
| C12 | C7 | H7 | 120.0° | 119.9° |
| C7 | C12 | H11 | 120.3° | 120.0° |
| C8 | C7 | H7 | 120.0° | 120.0° |
| C7 | C8 | H8 | 119.7° | 120.0° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.4° | 109.5° |
| H12 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | N1 | C3 | O1 | 0.3° | 0.0° |
| O2 | N1 | C3 | C2 | 179.7° | 180.0° |
| O2 | N1 | C2 | C6 | 1.4° | 0.0° |
| O2 | N1 | C3 | C4 | 179.7° | 180.0° |
| O2 | N1 | C2 | C1 | 180.0° | 180.0° |
| O1 | C3 | N1 | C4 | 180.0° | 179.9° |
| O1 | C3 | N1 | C2 | 179.4° | 180.0° |
| O1 | C3 | C4 | C5 | 179.7° | 180.0° |
| O1 | C3 | C4 | H3 | 0.3° | 0.1° |
| C3 | N1 | C2 | C6 | 178.9° | 180.0° |
| C3 | N1 | C2 | C1 | 0.3° | 0.1° |
| N1 | C3 | C4 | C5 | 0.3° | 0.0° |
| N1 | C3 | C4 | H3 | 179.7° | 180.0° |
| C3 | N1 | O2 | H15 | 0.1° | 0.0° |
| N1 | C2 | C6 | C1 | 178.6° | 180.0° |
| N1 | C2 | C6 | C10 | 117.1° | 85.0° |
| C2 | N1 | C3 | C4 | 0.6° | 0.1° |
| N1 | C2 | C1 | C5 | 0.3° | 0.0° |
| N1 | C2 | C1 | H1 | 179.7° | 179.8° |
| N1 | C2 | C6 | H5 | 2.3° | 34.9° |
| N1 | C2 | C6 | H6 | 123.4° | 155.0° |
| C2 | N1 | O2 | H15 | 179.6° | 180.0° |
| C2 | C6 | C10 | H5 | 119.5° | 120.0° |
| C2 | C6 | C10 | H6 | 119.5° | 120.0° |
| C6 | C2 | C1 | C5 | 178.4° | 180.0° |
| C2 | C6 | C10 | C11 | 92.7° | 90.0° |
| C2 | C6 | C10 | C9 | 85.2° | 90.0° |
| C6 | C2 | C1 | H1 | 1.6° | 0.2° |
| C2 | C6 | H5 | H6 | 121.5° | 120.0° |
| C10 | C6 | C2 | C1 | 61.5° | 95.0° |
| C6 | C10 | C11 | C9 | 177.9° | 180.0° |
| C6 | C10 | C11 | C12 | 179.2° | 179.7° |
| C6 | C10 | C9 | C8 | 179.1° | 179.9° |
| C10 | C6 | H5 | H6 | 121.5° | 120.0° |
| C6 | C10 | C9 | H9 | 0.9° | 0.0° |
| C6 | C10 | C11 | H10 | 0.8° | 0.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C1 | 0.3° | 0.0° |
| C3 | C4 | C5 | C13 | 179.9° | 179.7° |
| C2 | C1 | C5 | C4 | 0.5° | 0.0° |
| C2 | C1 | C5 | H1 | 180.0° | 179.8° |
| C2 | C1 | C5 | C13 | 179.6° | 179.7° |
| C1 | C2 | C6 | H5 | 179.0° | 145.0° |
| C1 | C2 | C6 | H6 | 58.0° | 25.0° |
| C4 | C5 | C1 | C13 | 179.8° | 179.7° |
| C4 | C5 | C1 | H1 | 179.5° | 179.8° |
| C4 | C5 | C13 | H12 | 180.0° | 90.3° |
| C4 | C5 | C13 | H13 | 60.0° | 29.7° |
| C4 | C5 | C13 | H14 | 60.0° | 149.7° |
| C1 | C5 | C4 | H3 | 179.8° | 180.0° |
| C1 | C5 | C13 | H12 | 0.2° | 90.0° |
| C1 | C5 | C13 | H13 | 119.8° | 150.0° |
| C1 | C5 | C13 | H14 | 120.2° | 30.0° |
| C13 | C5 | C1 | H1 | 0.3° | 0.0° |
| C13 | C5 | C4 | H3 | 0.1° | 0.2° |
| C5 | C13 | H12 | H13 | 120.0° | 120.0° |
| C5 | C13 | H12 | H14 | 120.0° | 120.0° |
| C5 | C13 | H13 | H14 | 120.0° | 119.9° |
| C10 | C11 | C12 | H10 | 180.0° | 179.6° |
| C11 | C10 | C9 | C8 | 1.2° | 0.1° |
| C10 | C11 | C12 | C7 | 0.6° | 0.6° |
| C11 | C10 | C6 | H5 | 147.8° | 30.0° |
| C11 | C10 | C6 | H6 | 26.8° | 150.0° |
| C11 | C10 | C9 | H9 | 178.8° | 180.0° |
| C10 | C11 | C12 | H11 | 179.4° | 180.0° |
| C9 | C10 | C11 | C12 | 1.3° | 0.3° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.5° | 0.1° |
| C9 | C10 | C6 | H5 | 34.3° | 150.0° |
| C9 | C10 | C6 | H6 | 155.3° | 30.0° |
| C10 | C9 | C8 | H8 | 179.5° | 180.0° |
| C9 | C10 | C11 | H10 | 178.8° | 180.0° |
| C11 | C12 | C7 | H11 | 180.0° | 179.4° |
| C11 | C12 | C7 | C8 | 0.1° | 0.6° |
| C11 | C12 | C7 | H7 | 179.9° | 179.7° |
| C9 | C8 | C7 | C12 | 0.2° | 0.3° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | H7 | 179.8° | 180.0° |
| C12 | C7 | C8 | H7 | 180.0° | 179.7° |
| C12 | C7 | C8 | H8 | 179.8° | 179.7° |
| C7 | C12 | C11 | H10 | 179.4° | 179.8° |
| C7 | C8 | C9 | H9 | 179.5° | 180.0° |
| C8 | C7 | C12 | H11 | 179.9° | 180.0° |
| H7 | C7 | C8 | H8 | 0.2° | 0.0° |
| H7 | C7 | C12 | H11 | 0.1° | 0.3° |
| H8 | C8 | C9 | H9 | 0.5° | 0.1° |
| H10 | C11 | C12 | H11 | 0.6° | 0.4° |
| H12 | C13 | H13 | H14 | 120.0° | 120.1° |
