A1BHZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | P1 | doub | 1.48Å | 1.53Å | |
| O7 | P1 | sing | 1.61Å | 1.53Å | |
| P1 | O6 | sing | 1.61Å | 1.52Å | |
| P1 | C5 | sing | 1.82Å | 1.87Å | |
| O5 | C5 | sing | 1.43Å | 1.41Å | |
| C5 | C3 | sing | 1.51Å | 1.55Å | |
| C3 | C4 | sing | 1.48Å | 1.38Å | |
| C3 | C2 | doub | 1.34Å | 1.34Å | |
| C4 | O4 | doub | 1.21Å | 1.28Å | |
| C4 | O3 | sing | 1.35Å | 1.25Å | |
| C2 | C1 | sing | 1.48Å | 1.52Å | |
| C1 | O2 | doub | 1.21Å | 1.23Å | |
| C1 | O1 | sing | 1.35Å | 1.23Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| O5 | H5 | sing | 0.97Å | 0.95Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | P1 | O7 | 109.7° | 109.5° |
| O8 | P1 | O6 | 113.3° | 109.5° |
| O8 | P1 | C5 | 106.8° | 109.5° |
| O7 | P1 | O6 | 112.0° | 109.5° |
| O7 | P1 | C5 | 111.9° | 109.5° |
| P1 | O7 | H7 | 109.5° | 114.0° |
| O6 | P1 | C5 | 102.8° | 109.5° |
| P1 | O6 | H6 | 109.5° | 114.0° |
| P1 | C5 | O5 | 106.7° | 109.5° |
| P1 | C5 | C3 | 121.9° | 109.4° |
| P1 | C5 | H2 | 104.9° | 109.5° |
| O5 | C5 | C3 | 105.1° | 109.5° |
| O5 | C5 | H2 | 109.9° | 109.5° |
| C5 | O5 | H5 | 109.5° | 114.0° |
| C5 | C3 | C4 | 120.9° | 120.0° |
| C5 | C3 | C2 | 122.5° | 120.0° |
| C3 | C5 | H2 | 108.0° | 109.5° |
| C4 | C3 | C2 | 116.3° | 120.0° |
| C3 | C4 | O4 | 120.9° | 120.0° |
| C3 | C4 | O3 | 118.8° | 120.0° |
| C3 | C2 | C1 | 126.9° | 120.0° |
| C3 | C2 | H1 | 116.6° | 120.0° |
| O4 | C4 | O3 | 120.3° | 120.0° |
| C4 | O3 | H4 | 109.5° | 117.0° |
| C2 | C1 | O2 | 117.8° | 120.0° |
| C2 | C1 | O1 | 119.0° | 120.0° |
| C1 | C2 | H1 | 116.6° | 120.0° |
| O2 | C1 | O1 | 123.2° | 120.0° |
| C1 | O1 | H3 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | P1 | O7 | O6 | 126.7° | 120.0° |
| O8 | P1 | O7 | C5 | 118.4° | 120.0° |
| O8 | P1 | O6 | C5 | 114.9° | 120.0° |
| O8 | P1 | C5 | O5 | 63.3° | 180.0° |
| O8 | P1 | C5 | C3 | 176.2° | 60.0° |
| O8 | P1 | C5 | H2 | 53.3° | 60.0° |
| O8 | P1 | O6 | H6 | 0.0° | 180.0° |
| O8 | P1 | O7 | H7 | 0.0° | 60.0° |
| O7 | P1 | O6 | C5 | 120.3° | 120.0° |
| O7 | P1 | C5 | O5 | 56.8° | 60.1° |
| O7 | P1 | C5 | C3 | 63.7° | 180.0° |
| O7 | P1 | C5 | H2 | 173.4° | 60.0° |
| O7 | P1 | O6 | H6 | 124.8° | 60.0° |
| O6 | P1 | C5 | O5 | 177.2° | 60.0° |
| O6 | P1 | C5 | C3 | 56.7° | 60.0° |
| O6 | P1 | C5 | H2 | 66.2° | 180.0° |
| O6 | P1 | O7 | H7 | 126.7° | 60.0° |
| P1 | C5 | O5 | C3 | 130.8° | 120.0° |
| P1 | C5 | O5 | H2 | 113.2° | 120.0° |
| P1 | C5 | C3 | H2 | 121.5° | 120.0° |
| P1 | C5 | C3 | C4 | 170.9° | 60.0° |
| P1 | C5 | C3 | C2 | 3.2° | 120.0° |
| P1 | C5 | O5 | H5 | 180.0° | 60.0° |
| C5 | P1 | O6 | H6 | 114.9° | 60.0° |
| C5 | P1 | O7 | H7 | 118.4° | 180.0° |
| O5 | C5 | C3 | H2 | 117.3° | 120.0° |
| O5 | C5 | C3 | C4 | 49.6° | 60.0° |
| O5 | C5 | C3 | C2 | 124.4° | 120.0° |
| C5 | C3 | C4 | C2 | 174.4° | 179.9° |
| C5 | C3 | C4 | O4 | 61.8° | 172.7° |
| C5 | C3 | C4 | O3 | 121.0° | 7.3° |
| C5 | C3 | C2 | C1 | 173.3° | 149.6° |
| C5 | C3 | C2 | H1 | 6.7° | 30.4° |
| C3 | C5 | O5 | H5 | 49.2° | 60.0° |
| C3 | C4 | O4 | O3 | 177.1° | 180.0° |
| C4 | C3 | C2 | C1 | 12.4° | 30.5° |
| C4 | C3 | C2 | H1 | 167.5° | 149.5° |
| C4 | C3 | C5 | H2 | 67.7° | 180.0° |
| C3 | C4 | O3 | H4 | 177.2° | 180.0° |
| C2 | C3 | C4 | O4 | 123.8° | 7.3° |
| C2 | C3 | C4 | O3 | 53.4° | 172.8° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | O2 | 122.0° | 7.8° |
| C3 | C2 | C1 | O1 | 56.3° | 171.9° |
| C2 | C3 | C5 | H2 | 118.3° | 0.1° |
| O4 | C4 | O3 | H4 | 0.0° | 0.0° |
| C2 | C1 | O2 | O1 | 178.3° | 179.7° |
| C2 | C1 | O1 | H3 | 178.2° | 179.8° |
| O2 | C1 | C2 | H1 | 58.0° | 172.2° |
| O2 | C1 | O1 | H3 | 0.0° | 0.1° |
| O1 | C1 | C2 | H1 | 123.7° | 8.1° |
| H2 | C5 | O5 | H5 | 66.8° | 180.0° |
