0O3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | P17 | doub | 1.48Å | 1.57Å | |
| O14 | P13 | doub | 1.48Å | 1.53Å | |
| O16 | P17 | sing | 1.61Å | 1.58Å | |
| O16 | P13 | sing | 1.61Å | 1.63Å | |
| P17 | O18 | sing | 1.61Å | 1.58Å | |
| P17 | O20 | sing | 1.61Å | 1.48Å | |
| O15 | P13 | sing | 1.61Å | 1.60Å | |
| P13 | O29 | sing | 1.61Å | 1.64Å | |
| O3 | C13 | sing | 1.43Å | 1.40Å | |
| O29 | C28 | sing | 1.43Å | 1.40Å | |
| C13 | C30 | sing | 1.51Å | 1.53Å | |
| C1 | C30 | doub | 1.31Å | 1.36Å | |
| C30 | C27 | sing | 1.51Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| O20 | H1 | sing | 0.97Å | 0.95Å | |
| O18 | H2 | sing | 0.97Å | 0.95Å | |
| O15 | H3 | sing | 0.97Å | 0.95Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | P17 | O16 | 103.3° | 109.5° |
| O19 | P17 | O18 | 107.1° | 109.5° |
| O19 | P17 | O20 | 112.1° | 109.5° |
| O14 | P13 | O16 | 103.0° | 109.5° |
| O14 | P13 | O15 | 115.3° | 109.5° |
| O14 | P13 | O29 | 105.8° | 109.5° |
| P17 | O16 | P13 | 132.2° | 134.0° |
| O16 | P17 | O18 | 98.0° | 109.5° |
| O16 | P17 | O20 | 119.0° | 109.5° |
| O16 | P13 | O15 | 112.6° | 109.5° |
| O16 | P13 | O29 | 110.3° | 109.5° |
| O18 | P17 | O20 | 115.6° | 109.5° |
| P17 | O18 | H2 | 109.5° | 114.0° |
| P17 | O20 | H1 | 109.5° | 114.0° |
| O15 | P13 | O29 | 109.4° | 109.4° |
| P13 | O15 | H3 | 109.5° | 114.0° |
| P13 | O29 | C28 | 127.8° | 123.0° |
| O3 | C13 | C30 | 105.6° | 109.5° |
| O3 | C13 | H10 | 110.4° | 109.5° |
| O3 | C13 | H11 | 110.4° | 109.5° |
| C13 | O3 | H12 | 109.5° | 114.0° |
| O29 | C28 | C27 | 104.1° | 109.4° |
| O29 | C28 | H4 | 110.8° | 109.5° |
| O29 | C28 | H5 | 110.8° | 109.4° |
| C13 | C30 | C1 | 127.0° | 120.0° |
| C13 | C30 | C27 | 111.5° | 120.0° |
| C30 | C13 | H10 | 110.5° | 109.5° |
| C30 | C13 | H11 | 110.4° | 109.5° |
| C1 | C30 | C27 | 121.4° | 120.0° |
| C30 | C1 | H8 | 120.0° | 120.0° |
| C30 | C1 | H9 | 120.0° | 120.1° |
| C30 | C27 | C28 | 118.6° | 109.5° |
| C30 | C27 | H6 | 107.2° | 109.4° |
| C30 | C27 | H7 | 107.1° | 109.4° |
| C27 | C28 | H4 | 110.8° | 109.5° |
| C27 | C28 | H5 | 110.8° | 109.5° |
| C28 | C27 | H6 | 107.1° | 109.5° |
| C28 | C27 | H7 | 107.1° | 109.5° |
| H4 | C28 | H5 | 109.5° | 109.5° |
| H6 | C27 | H7 | 109.5° | 109.5° |
| H8 | C1 | H9 | 120.0° | 120.0° |
| H10 | C13 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | P17 | O16 | O18 | 109.8° | 120.0° |
| O19 | P17 | O16 | O20 | 124.9° | 120.0° |
| O19 | P17 | O16 | P13 | 119.1° | 45.0° |
| O19 | P17 | O18 | O20 | 125.8° | 120.0° |
| O19 | P17 | O20 | H1 | 0.0° | 60.0° |
| O19 | P17 | O18 | H2 | 0.0° | 180.0° |
| O14 | P13 | O16 | P17 | 177.5° | 40.0° |
| O14 | P13 | O16 | O15 | 124.8° | 120.0° |
| O14 | P13 | O16 | O29 | 112.6° | 120.1° |
| O14 | P13 | O15 | O29 | 119.1° | 120.0° |
| O14 | P13 | O29 | C28 | 46.8° | 54.9° |
| O14 | P13 | O15 | H3 | 0.0° | 180.0° |
| O16 | P17 | O18 | O20 | 127.7° | 120.0° |
| P17 | O16 | P13 | O15 | 52.7° | 80.0° |
| P17 | O16 | P13 | O29 | 69.9° | 160.0° |
| O16 | P17 | O20 | H1 | 120.5° | 180.0° |
| O16 | P17 | O18 | H2 | 106.6° | 60.0° |
| P13 | O16 | P17 | O18 | 131.1° | 75.0° |
| P13 | O16 | P17 | O20 | 5.9° | 165.0° |
| O16 | P13 | O15 | O29 | 123.1° | 120.0° |
| O16 | P13 | O29 | C28 | 64.0° | 175.0° |
| O16 | P13 | O15 | H3 | 117.8° | 60.0° |
| O18 | P17 | O20 | H1 | 123.2° | 60.0° |
| O20 | P17 | O18 | H2 | 125.7° | 60.0° |
| O15 | P13 | O29 | C28 | 171.6° | 65.0° |
| P13 | O29 | C28 | C27 | 84.9° | 179.9° |
| O29 | P13 | O15 | H3 | 119.1° | 60.0° |
| P13 | O29 | C28 | H4 | 34.3° | 59.9° |
| P13 | O29 | C28 | H5 | 156.0° | 60.1° |
| O3 | C13 | C30 | H10 | 119.4° | 120.0° |
| O3 | C13 | C30 | H11 | 119.4° | 120.0° |
| O3 | C13 | C30 | C1 | 39.9° | 0.0° |
| O3 | C13 | C30 | C27 | 143.5° | 180.0° |
| O3 | C13 | H10 | H11 | 121.8° | 120.0° |
| O29 | C28 | C27 | C30 | 131.0° | 180.0° |
| O29 | C28 | C27 | H4 | 119.1° | 120.0° |
| O29 | C28 | C27 | H5 | 119.2° | 119.9° |
| O29 | C28 | H4 | H5 | 122.5° | 120.0° |
| O29 | C28 | C27 | H6 | 9.7° | 60.0° |
| O29 | C28 | C27 | H7 | 107.7° | 60.1° |
| C13 | C30 | C1 | C27 | 176.4° | 180.0° |
| C13 | C30 | C27 | C28 | 156.1° | 85.0° |
| C13 | C30 | C27 | H6 | 34.8° | 155.0° |
| C13 | C30 | C27 | H7 | 82.6° | 35.0° |
| C13 | C30 | C1 | H8 | 176.4° | 0.0° |
| C13 | C30 | C1 | H9 | 3.6° | 180.0° |
| C30 | C13 | H10 | H11 | 121.8° | 120.0° |
| C30 | C13 | O3 | H12 | 180.0° | 180.0° |
| C1 | C30 | C27 | C28 | 27.1° | 95.0° |
| C1 | C30 | C27 | H6 | 148.3° | 25.0° |
| C1 | C30 | C27 | H7 | 94.2° | 145.0° |
| C30 | C1 | H8 | H9 | 180.0° | 180.0° |
| C1 | C30 | C13 | H10 | 159.2° | 120.0° |
| C1 | C30 | C13 | H11 | 79.5° | 120.0° |
| C30 | C27 | C28 | H6 | 121.3° | 120.0° |
| C30 | C27 | C28 | H7 | 121.3° | 120.0° |
| C30 | C27 | C28 | H4 | 11.9° | 60.0° |
| C30 | C27 | C28 | H5 | 109.8° | 60.1° |
| C30 | C27 | H6 | H7 | 115.9° | 119.9° |
| C27 | C30 | C1 | H8 | 0.0° | 180.0° |
| C27 | C30 | C1 | H9 | 180.0° | 0.0° |
| C27 | C30 | C13 | H10 | 24.1° | 60.0° |
| C27 | C30 | C13 | H11 | 97.2° | 60.0° |
| C27 | C28 | H4 | H5 | 122.5° | 120.1° |
| C28 | C27 | H6 | H7 | 115.8° | 120.1° |
| H4 | C28 | C27 | H6 | 109.4° | 180.0° |
| H4 | C28 | C27 | H7 | 133.2° | 59.9° |
| H5 | C28 | C27 | H6 | 128.9° | 59.9° |
| H5 | C28 | C27 | H7 | 11.5° | 180.0° |
| H10 | C13 | O3 | H12 | 60.6° | 60.0° |
| H11 | C13 | O3 | H12 | 60.6° | 60.0° |
