A1CE7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P02 | O01 | doub | 1.48Å | 1.50Å | |
| O03 | P02 | sing | 1.61Å | 1.50Å | |
| O04 | P02 | sing | 1.61Å | 1.50Å | |
| C05 | P02 | sing | 1.82Å | 1.85Å | |
| BR06 | C05 | sing | 1.97Å | 1.94Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| O04 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | P02 | O03 | 111.1° | 109.5° |
| O01 | P02 | O04 | 108.7° | 109.4° |
| O01 | P02 | C05 | 109.0° | 109.5° |
| O03 | P02 | O04 | 109.1° | 109.5° |
| O03 | P02 | C05 | 107.7° | 109.5° |
| P02 | O03 | H1 | 109.5° | 114.0° |
| O04 | P02 | C05 | 111.2° | 109.5° |
| P02 | O04 | H2 | 109.5° | 114.0° |
| P02 | C05 | BR06 | 107.0° | 109.5° |
| P02 | C05 | H052 | 110.1° | 109.5° |
| P02 | C05 | H051 | 110.1° | 109.5° |
| BR06 | C05 | H052 | 110.1° | 109.4° |
| BR06 | C05 | H051 | 110.1° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | P02 | O03 | O04 | 119.8° | 120.0° |
| O01 | P02 | O03 | C05 | 119.3° | 120.0° |
| O01 | P02 | O04 | C05 | 120.0° | 120.0° |
| O01 | P02 | C05 | BR06 | 5.3° | 60.0° |
| O01 | P02 | C05 | H052 | 124.9° | 60.0° |
| O01 | P02 | C05 | H051 | 114.4° | 180.0° |
| O01 | P02 | O03 | H1 | 0.0° | 180.0° |
| O01 | P02 | O04 | H2 | 0.0° | 60.1° |
| O03 | P02 | O04 | C05 | 118.7° | 120.0° |
| O03 | P02 | C05 | BR06 | 115.4° | 60.0° |
| O03 | P02 | C05 | H052 | 4.2° | 180.0° |
| O03 | P02 | C05 | H051 | 125.0° | 60.0° |
| O03 | P02 | O04 | H2 | 121.3° | 59.9° |
| O04 | P02 | C05 | BR06 | 125.1° | 179.9° |
| O04 | P02 | C05 | H052 | 115.3° | 60.0° |
| O04 | P02 | C05 | H051 | 5.5° | 60.0° |
| O04 | P02 | O03 | H1 | 119.8° | 60.0° |
| P02 | C05 | BR06 | H052 | 119.6° | 120.0° |
| P02 | C05 | BR06 | H051 | 119.6° | 120.1° |
| P02 | C05 | H052 | H051 | 121.1° | 120.0° |
| C05 | P02 | O03 | H1 | 119.3° | 60.0° |
| C05 | P02 | O04 | H2 | 120.0° | 179.9° |
| BR06 | C05 | H052 | H051 | 121.1° | 120.0° |
