7VD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C6 | doub | 1.21Å | 1.23Å | |
| C6 | C8 | sing | 1.51Å | 1.50Å | |
| C6 | C1 | sing | 1.51Å | 1.51Å | |
| O3 | P1 | doub | 1.48Å | 1.51Å | |
| C1 | P1 | sing | 1.82Å | 1.81Å | |
| O2 | P1 | sing | 1.61Å | 1.51Å | |
| P1 | O4 | sing | 1.61Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C6 | C8 | 123.0° | 120.0° |
| O7 | C6 | C1 | 121.3° | 120.0° |
| C8 | C6 | C1 | 115.7° | 120.0° |
| C6 | C8 | H5 | 109.5° | 109.5° |
| C6 | C8 | H6 | 109.4° | 109.5° |
| C6 | C8 | H7 | 109.5° | 109.5° |
| C6 | C1 | P1 | 116.5° | 109.5° |
| C6 | C1 | H1 | 107.7° | 109.5° |
| C6 | C1 | H2 | 107.7° | 109.5° |
| O3 | P1 | C1 | 111.8° | 109.5° |
| O3 | P1 | O2 | 109.9° | 109.5° |
| O3 | P1 | O4 | 110.1° | 109.5° |
| C1 | P1 | O2 | 114.4° | 109.5° |
| C1 | P1 | O4 | 99.8° | 109.5° |
| P1 | C1 | H1 | 107.7° | 109.5° |
| P1 | C1 | H2 | 107.7° | 109.4° |
| O2 | P1 | O4 | 110.5° | 109.4° |
| P1 | O2 | H3 | 109.5° | 114.0° |
| P1 | O4 | H4 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.4° |
| H5 | C8 | H7 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C6 | C8 | C1 | 179.9° | 179.9° |
| O7 | C6 | C1 | P1 | 35.9° | 0.0° |
| O7 | C6 | C1 | H1 | 85.2° | 120.1° |
| O7 | C6 | C1 | H2 | 156.9° | 119.9° |
| O7 | C6 | C8 | H5 | 0.0° | 179.9° |
| O7 | C6 | C8 | H6 | 120.0° | 60.0° |
| O7 | C6 | C8 | H7 | 120.0° | 60.0° |
| C8 | C6 | C1 | P1 | 144.0° | 180.0° |
| C8 | C6 | C1 | H1 | 94.9° | 60.0° |
| C8 | C6 | C1 | H2 | 23.0° | 60.0° |
| C6 | C8 | H5 | H6 | 120.0° | 120.0° |
| C6 | C8 | H5 | H7 | 120.0° | 120.0° |
| C6 | C8 | H6 | H7 | 120.0° | 120.0° |
| C6 | C1 | P1 | O3 | 115.0° | 55.0° |
| C6 | C1 | P1 | H1 | 121.0° | 120.0° |
| C6 | C1 | P1 | H2 | 121.0° | 120.0° |
| C6 | C1 | P1 | O2 | 10.6° | 65.0° |
| C6 | C1 | P1 | O4 | 128.5° | 175.0° |
| C6 | C1 | H1 | H2 | 116.8° | 120.0° |
| C1 | C6 | C8 | H5 | 179.9° | 0.0° |
| C1 | C6 | C8 | H6 | 59.9° | 120.0° |
| C1 | C6 | C8 | H7 | 60.1° | 120.0° |
| O3 | P1 | C1 | O2 | 125.7° | 120.0° |
| O3 | P1 | C1 | O4 | 116.4° | 120.1° |
| O3 | P1 | O2 | O4 | 121.6° | 120.0° |
| O3 | P1 | C1 | H1 | 6.0° | 175.0° |
| O3 | P1 | C1 | H2 | 123.9° | 65.0° |
| O3 | P1 | O2 | H3 | 0.0° | 179.9° |
| O3 | P1 | O4 | H4 | 0.0° | 59.9° |
| C1 | P1 | O2 | O4 | 111.6° | 120.0° |
| P1 | C1 | H1 | H2 | 116.8° | 119.9° |
| C1 | P1 | O2 | H3 | 126.7° | 60.0° |
| C1 | P1 | O4 | H4 | 117.7° | 180.0° |
| O2 | P1 | C1 | H1 | 131.7° | 55.0° |
| O2 | P1 | C1 | H2 | 110.4° | 175.0° |
| O2 | P1 | O4 | H4 | 121.5° | 60.0° |
| O4 | P1 | C1 | H1 | 110.4° | 65.0° |
| O4 | P1 | C1 | H2 | 7.5° | 55.0° |
| O4 | P1 | O2 | H3 | 121.6° | 60.0° |
| H5 | C8 | H6 | H7 | 120.0° | 120.0° |
