BZR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4C | C9C | sing | 1.53Å | 1.51Å | |
| C4C | C4A | sing | 1.51Å | 1.51Å | |
| C4C | H4C1 | sing | 1.09Å | 1.10Å | |
| C4C | H4C2 | sing | 1.09Å | 1.10Å | |
| C9C | O3 | sing | 1.43Å | 1.43Å | |
| C9C | C8B | sing | 1.53Å | 1.53Å | |
| C9C | H9C | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C8B | O2 | sing | 1.43Å | 1.43Å | |
| C8B | C3B | sing | 1.53Å | 1.53Å | |
| C8B | H8B | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3B | O1 | sing | 1.43Å | 1.43Å | |
| C3B | C3A | sing | 1.51Å | 1.52Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3A | C2A | doub | 1.40Å | 1.42Å | Aromatic |
| C3A | C4A | sing | 1.35Å | 1.40Å | Aromatic |
| C2A | C1A | sing | 1.35Å | 1.41Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| C4A | C4B | doub | 1.42Å | 1.40Å | Aromatic |
| C1A | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C1A | H1A | sing | 1.08Å | 1.08Å | |
| C5A | C4B | sing | 1.39Å | 1.40Å | Aromatic |
| C5A | C5B | doub | 1.39Å | 1.40Å | Aromatic |
| C5A | H5A | sing | 1.08Å | 1.08Å | |
| C4B | C11 | sing | 1.46Å | 1.41Å | Aromatic |
| C6A | C7A | doub | 1.36Å | 1.41Å | Aromatic |
| C6A | C5B | sing | 1.41Å | 1.40Å | Aromatic |
| C6A | H6A | sing | 1.08Å | 1.08Å | |
| C7A | C8A | sing | 1.40Å | 1.41Å | Aromatic |
| C7A | H7A | sing | 1.08Å | 1.08Å | |
| C8A | C9A | doub | 1.36Å | 1.41Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| C5B | C9B | sing | 1.47Å | 1.41Å | Aromatic |
| C9B | C9A | sing | 1.41Å | 1.41Å | Aromatic |
| C9B | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C9A | H9A | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9C | C4C | C4A | 93.9° | 110.8° |
| C9C | C4C | H4C1 | 118.0° | 109.2° |
| C9C | C4C | H4C2 | 115.0° | 109.2° |
| C4C | C9C | O3 | 110.3° | 109.7° |
| C4C | C9C | C8B | 110.6° | 108.2° |
| C4C | C9C | H9C | 108.5° | 109.7° |
| C4A | C4C | H4C1 | 118.0° | 109.3° |
| C4A | C4C | H4C2 | 115.0° | 109.2° |
| C4C | C4A | C3A | 119.1° | 123.1° |
| C4C | C4A | C4B | 120.3° | 117.4° |
| H4C1 | C4C | H4C2 | 98.2° | 109.2° |
| O3 | C9C | C8B | 110.3° | 109.8° |
| O3 | C9C | H9C | 108.7° | 109.7° |
| C9C | O3 | H3 | 109.5° | 106.8° |
| C8B | C9C | H9C | 108.4° | 109.7° |
| C9C | C8B | O2 | 109.8° | 109.8° |
| C9C | C8B | C3B | 111.6° | 108.2° |
| C9C | C8B | H8B | 107.9° | 109.7° |
| O2 | C8B | C3B | 109.9° | 109.7° |
| O2 | C8B | H8B | 109.7° | 109.7° |
| C8B | O2 | HO2 | 109.5° | 106.9° |
| C3B | C8B | H8B | 107.8° | 109.7° |
| C8B | C3B | O1 | 110.6° | 109.2° |
| C8B | C3B | C3A | 109.6° | 110.8° |
| C8B | C3B | H3B | 108.4° | 109.2° |
| O1 | C3B | C3A | 108.9° | 109.2° |
| O1 | C3B | H3B | 109.2° | 109.2° |
| C3B | O1 | H1 | 109.5° | 106.8° |
| C3A | C3B | H3B | 110.1° | 109.2° |
| C3B | C3A | C2A | 121.9° | 116.8° |
| C3B | C3A | C4A | 118.6° | 122.3° |
| C2A | C3A | C4A | 119.5° | 120.8° |
| C3A | C2A | C1A | 119.8° | 122.7° |
| C3A | C2A | H2A | 120.1° | 118.7° |
| C3A | C4A | C4B | 120.6° | 119.5° |
| C1A | C2A | H2A | 120.1° | 118.6° |
| C2A | C1A | C11 | 120.0° | 119.3° |
| C2A | C1A | H1A | 120.0° | 120.4° |
| C4A | C4B | C5A | 119.5° | 120.5° |
| C4A | C4B | C11 | 120.1° | 119.3° |
| C11 | C1A | H1A | 120.0° | 120.3° |
| C1A | C11 | C4B | 119.9° | 118.4° |
| C1A | C11 | C10 | 120.3° | 121.3° |
| C4B | C5A | C5B | 120.0° | 119.5° |
| C4B | C5A | H5A | 120.0° | 120.3° |
| C5A | C4B | C11 | 120.3° | 120.2° |
| C5B | C5A | H5A | 120.0° | 120.2° |
| C5A | C5B | C6A | 119.5° | 121.1° |
| C5A | C5B | C9B | 120.2° | 120.2° |
| C4B | C11 | C10 | 119.9° | 120.3° |
| C7A | C6A | C5B | 120.0° | 119.6° |
| C7A | C6A | H6A | 120.0° | 120.2° |
| C6A | C7A | C8A | 120.0° | 121.7° |
| C6A | C7A | H7A | 120.0° | 119.1° |
| C5B | C6A | H6A | 120.0° | 120.2° |
| C6A | C5B | C9B | 120.3° | 118.7° |
| C8A | C7A | H7A | 120.0° | 119.1° |
| C7A | C8A | C9A | 119.9° | 121.7° |
| C7A | C8A | H8A | 120.0° | 119.2° |
| C9A | C8A | H8A | 120.0° | 119.1° |
| C8A | C9A | C9B | 119.9° | 119.5° |
| C8A | C9A | H9A | 120.0° | 120.2° |
| C5B | C9B | C9A | 119.9° | 118.8° |
| C5B | C9B | C10 | 119.8° | 120.2° |
| C9A | C9B | C10 | 120.2° | 121.1° |
| C9B | C9A | H9A | 120.1° | 120.2° |
| C9B | C10 | C11 | 119.8° | 119.5° |
| C9B | C10 | H10 | 120.1° | 120.2° |
| C11 | C10 | H10 | 120.1° | 120.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9C | C4C | C4A | H4C1 | 124.8° | 120.3° |
| C9C | C4C | C4A | H4C2 | 120.0° | 120.3° |
| C9C | C4C | H4C1 | H4C2 | 124.1° | 119.3° |
| C4C | C9C | O3 | C8B | 122.4° | 118.7° |
| C4C | C9C | O3 | H9C | 118.8° | 120.6° |
| C4C | C9C | C8B | H9C | 118.8° | 119.7° |
| C4C | C9C | O3 | H3 | 167.9° | 60.6° |
| C4C | C9C | C8B | O2 | 169.3° | 171.1° |
| C4C | C9C | C8B | C3B | 47.1° | 69.2° |
| C4C | C9C | C8B | H8B | 71.2° | 50.5° |
| C9C | C4C | C4A | C3A | 55.4° | 17.7° |
| C9C | C4C | C4A | C4B | 125.0° | 162.4° |
| C4A | C4C | H4C1 | H4C2 | 124.1° | 119.4° |
| C4A | C4C | C9C | O3 | 43.4° | 69.1° |
| C4A | C4C | C9C | C8B | 78.9° | 50.6° |
| C4A | C4C | C9C | H9C | 162.3° | 170.3° |
| C4C | C4A | C3A | C3B | 0.3° | 1.1° |
| C4C | C4A | C3A | C2A | 179.3° | 179.4° |
| C4C | C4A | C3A | C4B | 179.7° | 179.9° |
| C4C | C4A | C4B | C5A | 0.5° | 0.4° |
| C4C | C4A | C4B | C11 | 179.6° | 179.5° |
| H4C1 | C4C | C9C | O3 | 168.2° | 51.2° |
| H4C1 | C4C | C9C | C8B | 45.8° | 171.0° |
| H4C1 | C4C | C9C | H9C | 72.9° | 69.4° |
| H4C1 | C4C | C4A | C3A | 69.4° | 138.0° |
| H4C1 | C4C | C4A | C4B | 110.3° | 42.1° |
| H4C2 | C4C | C9C | O3 | 76.6° | 170.6° |
| H4C2 | C4C | C9C | C8B | 161.1° | 69.7° |
| H4C2 | C4C | C9C | H9C | 42.3° | 50.0° |
| H4C2 | C4C | C4A | C3A | 175.4° | 102.6° |
| H4C2 | C4C | C4A | C4B | 5.0° | 77.4° |
| O3 | C9C | C8B | H9C | 118.9° | 120.7° |
| O3 | C9C | C8B | O2 | 47.0° | 69.2° |
| O3 | C9C | C8B | C3B | 75.2° | 50.5° |
| O3 | C9C | C8B | H8B | 166.5° | 170.2° |
| C8B | C9C | O3 | H3 | 69.6° | 179.3° |
| C9C | C8B | O2 | C3B | 123.1° | 118.8° |
| C9C | C8B | O2 | H8B | 118.5° | 120.7° |
| C9C | C8B | C3B | H8B | 118.4° | 119.7° |
| C9C | C8B | O2 | HO2 | 90.8° | 178.8° |
| C9C | C8B | C3B | O1 | 106.6° | 171.6° |
| C9C | C8B | C3B | C3A | 13.4° | 51.3° |
| C9C | C8B | C3B | H3B | 133.7° | 69.1° |
| H9C | C9C | O3 | H3 | 49.1° | 60.0° |
| H9C | C9C | C8B | O2 | 71.9° | 51.5° |
| H9C | C9C | C8B | C3B | 165.9° | 171.2° |
| H9C | C9C | C8B | H8B | 47.6° | 69.1° |
| O2 | C8B | C3B | H8B | 119.6° | 120.5° |
| O2 | C8B | C3B | O1 | 131.3° | 68.7° |
| O2 | C8B | C3B | C3A | 108.7° | 171.0° |
| O2 | C8B | C3B | H3B | 11.6° | 50.6° |
| C3B | C8B | O2 | HO2 | 146.1° | 60.0° |
| C8B | C3B | O1 | C3A | 120.5° | 121.3° |
| C8B | C3B | O1 | H3B | 119.2° | 119.3° |
| C8B | C3B | C3A | H3B | 119.2° | 120.4° |
| C8B | C3B | O1 | H1 | 97.3° | 178.7° |
| C8B | C3B | C3A | C2A | 142.7° | 162.2° |
| C8B | C3B | C3A | C4A | 37.6° | 18.3° |
| H8B | C8B | O2 | HO2 | 27.6° | 60.5° |
| H8B | C8B | C3B | O1 | 11.7° | 51.9° |
| H8B | C8B | C3B | C3A | 131.8° | 68.4° |
| H8B | C8B | C3B | H3B | 107.9° | 171.2° |
| O1 | C3B | C3A | H3B | 119.7° | 119.4° |
| O1 | C3B | C3A | C2A | 96.2° | 41.9° |
| O1 | C3B | C3A | C4A | 83.5° | 138.6° |
| C3A | C3B | O1 | H1 | 23.2° | 60.0° |
| C3B | C3A | C2A | C4A | 179.7° | 179.5° |
| C3B | C3A | C2A | C1A | 180.0° | 179.3° |
| C3B | C3A | C2A | H2A | 0.0° | 0.7° |
| C3B | C3A | C4A | C4B | 180.0° | 179.0° |
| H3B | C3B | O1 | H1 | 143.5° | 59.4° |
| H3B | C3B | C3A | C2A | 23.5° | 77.4° |
| H3B | C3B | C3A | C4A | 156.8° | 102.1° |
| C3A | C2A | C1A | H2A | 180.0° | 179.9° |
| C2A | C3A | C4A | C4B | 0.3° | 0.5° |
| C3A | C2A | C1A | C11 | 0.0° | 0.1° |
| C3A | C2A | C1A | H1A | 180.0° | 179.9° |
| C4A | C3A | C2A | C1A | 0.3° | 0.2° |
| C4A | C3A | C2A | H2A | 179.7° | 179.7° |
| C3A | C4A | C4B | C5A | 179.8° | 179.7° |
| C3A | C4A | C4B | C11 | 0.1° | 0.5° |
| C2A | C1A | C11 | H1A | 180.0° | 180.0° |
| C2A | C1A | C11 | C4B | 0.2° | 0.1° |
| C2A | C1A | C11 | C10 | 179.9° | 179.8° |
| H2A | C2A | C1A | C11 | 180.0° | 180.0° |
| H2A | C2A | C1A | H1A | 0.0° | 0.1° |
| C4A | C4B | C11 | C1A | 0.2° | 0.2° |
| C4A | C4B | C5A | C11 | 179.9° | 179.9° |
| C4A | C4B | C5A | C5B | 180.0° | 179.9° |
| C4A | C4B | C5A | H5A | 0.0° | 0.1° |
| C4A | C4B | C11 | C10 | 180.0° | 179.9° |
| C1A | C11 | C4B | C5A | 179.9° | 180.0° |
| C1A | C11 | C4B | C10 | 179.8° | 180.0° |
| C1A | C11 | C10 | C9B | 179.9° | 180.0° |
| C1A | C11 | C10 | H10 | 0.1° | 0.0° |
| H1A | C1A | C11 | C4B | 179.8° | 179.8° |
| H1A | C1A | C11 | C10 | 0.1° | 0.2° |
| C4B | C5A | C5B | H5A | 180.0° | 180.0° |
| C4B | C5A | C5B | C6A | 179.9° | 180.0° |
| C4B | C5A | C5B | C9B | 0.1° | 0.1° |
| C5A | C4B | C11 | C10 | 0.0° | 0.0° |
| C5B | C5A | C4B | C11 | 0.0° | 0.0° |
| C5A | C5B | C6A | C7A | 179.9° | 179.9° |
| C5A | C5B | C6A | C9B | 179.9° | 179.9° |
| C5A | C5B | C6A | H6A | 0.1° | 0.1° |
| C5A | C5B | C9B | C9A | 179.9° | 179.9° |
| C5A | C5B | C9B | C10 | 0.1° | 0.1° |
| H5A | C5A | C4B | C11 | 180.0° | 180.0° |
| H5A | C5A | C5B | C6A | 0.1° | 0.1° |
| H5A | C5A | C5B | C9B | 180.0° | 179.9° |
| C4B | C11 | C10 | C9B | 0.0° | 0.0° |
| C4B | C11 | C10 | H10 | 179.9° | 180.0° |
| C7A | C6A | C5B | H6A | 180.0° | 180.0° |
| C6A | C7A | C8A | H7A | 180.0° | 180.0° |
| C6A | C7A | C8A | C9A | 0.1° | 0.0° |
| C6A | C7A | C8A | H8A | 179.9° | 180.0° |
| C7A | C6A | C5B | C9B | 0.0° | 0.0° |
| C5B | C6A | C7A | C8A | 0.1° | 0.0° |
| C5B | C6A | C7A | H7A | 179.9° | 180.0° |
| C6A | C5B | C9B | C9A | 0.0° | 0.0° |
| C6A | C5B | C9B | C10 | 179.9° | 180.0° |
| H6A | C6A | C7A | C8A | 180.0° | 180.0° |
| H6A | C6A | C7A | H7A | 0.1° | 0.0° |
| H6A | C6A | C5B | C9B | 180.0° | 180.0° |
| C7A | C8A | C9A | H8A | 180.0° | 180.0° |
| C7A | C8A | C9A | C9B | 0.0° | 0.0° |
| C7A | C8A | C9A | H9A | 180.0° | 180.0° |
| H7A | C7A | C8A | C9A | 179.9° | 180.0° |
| H7A | C7A | C8A | H8A | 0.1° | 0.0° |
| C8A | C9A | C9B | C5B | 0.0° | 0.0° |
| C8A | C9A | C9B | H9A | 180.0° | 180.0° |
| C8A | C9A | C9B | C10 | 180.0° | 180.0° |
| H8A | C8A | C9A | C9B | 179.9° | 180.0° |
| H8A | C8A | C9A | H9A | 0.1° | 0.0° |
| C5B | C9B | C9A | C10 | 180.0° | 179.9° |
| C5B | C9B | C10 | C11 | 0.1° | 0.1° |
| C5B | C9B | C9A | H9A | 180.0° | 180.0° |
| C5B | C9B | C10 | H10 | 179.9° | 179.9° |
| C9A | C9B | C10 | C11 | 179.9° | 179.9° |
| C9A | C9B | C10 | H10 | 0.1° | 0.0° |
| C9B | C10 | C11 | H10 | 180.0° | 179.9° |
| C10 | C9B | C9A | H9A | 0.1° | 0.0° |
