BZZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1' | C2' | doub | 1.39Å | 1.42Å | Aromatic |
| C1' | C6' | sing | 1.39Å | 1.42Å | Aromatic |
| C1' | H1' | sing | 1.09Å | 1.08Å | |
| C2' | C3' | sing | 1.40Å | 1.43Å | Aromatic |
| C2' | H2' | sing | 1.09Å | 1.08Å | |
| C3' | C4' | doub | 1.39Å | 1.43Å | Aromatic |
| C3' | C1 | sing | 1.49Å | 1.54Å | |
| C4' | C5' | sing | 1.39Å | 1.42Å | Aromatic |
| C4' | H4' | sing | 1.09Å | 1.08Å | |
| C5' | C6' | doub | 1.39Å | 1.42Å | Aromatic |
| C5' | H5' | sing | 1.09Å | 1.08Å | |
| C6' | H6' | sing | 1.09Å | 1.08Å | |
| NX1 | NX2 | sing | 1.43Å | 1.40Å | |
| NX1 | C1 | sing | 1.44Å | 1.49Å | |
| NX1 | HNX1 | sing | 1.02Å | 1.00Å | |
| NX2 | HX21 | sing | 1.02Å | 1.00Å | |
| NX2 | HX22 | sing | 1.02Å | 1.00Å | |
| C1 | H11 | sing | 1.10Å | 1.10Å | |
| C1 | H12 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | C1' | C6' | 120.0° | 120.0° |
| C2' | C1' | H1' | 120.0° | 120.0° |
| C1' | C2' | C3' | 120.2° | 120.0° |
| C1' | C2' | H2' | 119.9° | 119.5° |
| C6' | C1' | H1' | 120.0° | 120.0° |
| C1' | C6' | C5' | 120.1° | 120.0° |
| C1' | C6' | H6' | 119.9° | 120.0° |
| C3' | C2' | H2' | 119.9° | 120.5° |
| C2' | C3' | C4' | 119.2° | 120.0° |
| C2' | C3' | C1 | 120.3° | 120.0° |
| C4' | C3' | C1 | 120.5° | 120.1° |
| C3' | C4' | C5' | 120.3° | 120.0° |
| C3' | C4' | H4' | 119.8° | 120.5° |
| C3' | C1 | NX1 | 114.9° | 112.4° |
| C3' | C1 | H11 | 107.7° | 111.1° |
| C3' | C1 | H12 | 106.4° | 111.5° |
| C5' | C4' | H4' | 119.8° | 119.5° |
| C4' | C5' | C6' | 120.1° | 120.0° |
| C4' | C5' | H5' | 120.0° | 120.0° |
| C6' | C5' | H5' | 120.0° | 120.0° |
| C5' | C6' | H6' | 119.9° | 120.0° |
| NX2 | NX1 | C1 | 111.7° | 108.9° |
| NX2 | NX1 | HNX1 | 108.7° | 108.5° |
| NX1 | NX2 | HX21 | 109.5° | 109.3° |
| NX1 | NX2 | HX22 | 109.5° | 109.4° |
| C1 | NX1 | HNX1 | 108.7° | 110.4° |
| NX1 | C1 | H11 | 107.7° | 107.5° |
| NX1 | C1 | H12 | 106.4° | 107.3° |
| HX21 | NX2 | HX22 | 109.4° | 105.8° |
| H11 | C1 | H12 | 113.9° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2' | C1' | C6' | H1' | 180.0° | 180.0° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 0.0° | 0.0° |
| C1' | C2' | C3' | C1 | 179.9° | 180.0° |
| C2' | C1' | C6' | C5' | 0.0° | 0.0° |
| C2' | C1' | C6' | H6' | 180.0° | 180.0° |
| C6' | C1' | C2' | C3' | 0.0° | 0.0° |
| C6' | C1' | C2' | H2' | 180.0° | 180.0° |
| C1' | C6' | C5' | C4' | 0.0° | 0.0° |
| C1' | C6' | C5' | H6' | 180.0° | 179.9° |
| C1' | C6' | C5' | H5' | 180.0° | 180.0° |
| H1' | C1' | C2' | C3' | 180.0° | 180.0° |
| H1' | C1' | C2' | H2' | 0.0° | 0.0° |
| H1' | C1' | C6' | C5' | 179.9° | 180.0° |
| H1' | C1' | C6' | H6' | 0.1° | 0.0° |
| C2' | C3' | C4' | C1 | 179.9° | 180.0° |
| C2' | C3' | C4' | C5' | 0.0° | 0.0° |
| C2' | C3' | C4' | H4' | 180.0° | 179.9° |
| C2' | C3' | C1 | NX1 | 114.8° | 90.0° |
| C2' | C3' | C1 | H11 | 125.2° | 30.5° |
| C2' | C3' | C1 | H12 | 2.8° | 149.4° |
| H2' | C2' | C3' | C4' | 180.0° | 180.0° |
| H2' | C2' | C3' | C1 | 0.1° | 0.1° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 0.0° | 0.0° |
| C3' | C4' | C5' | H5' | 180.0° | 180.0° |
| C4' | C3' | C1 | NX1 | 65.3° | 90.0° |
| C4' | C3' | C1 | H11 | 54.7° | 149.5° |
| C4' | C3' | C1 | H12 | 177.1° | 30.6° |
| C1 | C3' | C4' | C5' | 179.9° | 180.0° |
| C1 | C3' | C4' | H4' | 0.1° | 0.0° |
| C3' | C1 | NX1 | NX2 | 85.7° | 178.9° |
| C3' | C1 | NX1 | H11 | 120.0° | 122.6° |
| C3' | C1 | NX1 | H12 | 117.5° | 122.9° |
| C3' | C1 | NX1 | HNX1 | 34.3° | 60.0° |
| C3' | C1 | H11 | H12 | 117.7° | 121.8° |
| C4' | C5' | C6' | H5' | 180.0° | 180.0° |
| C4' | C5' | C6' | H6' | 180.0° | 180.0° |
| H4' | C4' | C5' | C6' | 179.9° | 179.9° |
| H4' | C4' | C5' | H5' | 0.0° | 0.0° |
| H5' | C5' | C6' | H6' | 0.0° | 0.1° |
| NX2 | NX1 | C1 | HNX1 | 120.0° | 119.0° |
| NX1 | NX2 | HX21 | HX22 | 120.0° | 117.7° |
| NX2 | NX1 | C1 | H11 | 34.3° | 58.5° |
| NX2 | NX1 | C1 | H12 | 156.8° | 56.0° |
| C1 | NX1 | NX2 | HX21 | 147.5° | 68.2° |
| C1 | NX1 | NX2 | HX22 | 92.5° | 176.4° |
| NX1 | C1 | H11 | H12 | 117.8° | 114.9° |
| HNX1 | NX1 | NX2 | HX21 | 92.5° | 52.0° |
| HNX1 | NX1 | NX2 | HX22 | 27.5° | 63.4° |
| HNX1 | NX1 | C1 | H11 | 154.3° | 177.4° |
| HNX1 | NX1 | C1 | H12 | 83.2° | 63.0° |
