0JX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | P17 | doub | 1.48Å | 1.48Å | |
| O14 | P13 | doub | 1.48Å | 1.48Å | |
| P17 | O16 | sing | 1.61Å | 1.58Å | |
| P17 | O19 | sing | 1.61Å | 1.47Å | |
| P17 | O18 | sing | 1.61Å | 1.45Å | |
| O15 | P13 | sing | 1.61Å | 1.48Å | |
| O16 | P13 | sing | 1.61Å | 1.54Å | |
| P13 | O29 | sing | 1.61Å | 1.53Å | |
| O29 | C28 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.49Å | |
| C27 | C30 | sing | 1.51Å | 1.46Å | |
| C13 | C30 | doub | 1.32Å | 1.35Å | |
| C13 | O33 | sing | 1.36Å | 1.36Å | |
| O19 | 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 | |
| C30 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| O33 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | P17 | O16 | 105.5° | 109.5° |
| O20 | P17 | O19 | 113.0° | 109.5° |
| O20 | P17 | O18 | 115.5° | 109.5° |
| O14 | P13 | O15 | 119.1° | 109.5° |
| O14 | P13 | O16 | 96.4° | 109.5° |
| O14 | P13 | O29 | 113.0° | 109.5° |
| O16 | P17 | O19 | 93.9° | 109.5° |
| O16 | P17 | O18 | 110.1° | 109.4° |
| P17 | O16 | P13 | 139.8° | 134.0° |
| O19 | P17 | O18 | 115.9° | 109.5° |
| P17 | O19 | H1 | 109.5° | 114.0° |
| P17 | O18 | H2 | 109.5° | 114.0° |
| O15 | P13 | O16 | 119.6° | 109.4° |
| O15 | P13 | O29 | 103.6° | 109.5° |
| P13 | O15 | H3 | 109.5° | 114.0° |
| O16 | P13 | O29 | 104.6° | 109.5° |
| P13 | O29 | C28 | 123.5° | 123.0° |
| O29 | C28 | C27 | 109.7° | 109.5° |
| O29 | C28 | H4 | 109.4° | 109.4° |
| O29 | C28 | H5 | 109.4° | 109.4° |
| C28 | C27 | C30 | 113.0° | 109.5° |
| C27 | C28 | H4 | 109.4° | 109.5° |
| C27 | C28 | H5 | 109.4° | 109.5° |
| C28 | C27 | H6 | 108.6° | 109.5° |
| C28 | C27 | H7 | 108.5° | 109.5° |
| C27 | C30 | C13 | 107.6° | 120.0° |
| C30 | C27 | H6 | 108.5° | 109.5° |
| C30 | C27 | H7 | 108.6° | 109.5° |
| C27 | C30 | H9 | 126.2° | 120.0° |
| C30 | C13 | O33 | 103.4° | 120.0° |
| C13 | C30 | H9 | 126.2° | 120.0° |
| C30 | C13 | H11 | 128.3° | 120.0° |
| O33 | C13 | H11 | 128.3° | 120.0° |
| C13 | O33 | H12 | 109.5° | 114.0° |
| H4 | C28 | H5 | 109.5° | 109.4° |
| H6 | C27 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | P17 | O16 | O19 | 115.2° | 120.0° |
| O20 | P17 | O16 | O18 | 125.3° | 120.0° |
| O20 | P17 | O19 | O18 | 136.7° | 120.0° |
| O20 | P17 | O16 | P13 | 81.0° | 44.9° |
| O20 | P17 | O19 | H1 | 0.0° | 180.0° |
| O20 | P17 | O18 | H2 | 0.0° | 60.0° |
| O14 | P13 | O16 | P17 | 145.7° | 39.9° |
| O14 | P13 | O15 | O16 | 117.6° | 120.0° |
| O14 | P13 | O15 | O29 | 126.5° | 120.0° |
| O14 | P13 | O16 | O29 | 115.9° | 120.1° |
| O14 | P13 | O29 | C28 | 28.3° | 55.0° |
| O14 | P13 | O15 | H3 | 0.0° | 179.9° |
| O16 | P17 | O19 | O18 | 114.6° | 120.0° |
| P17 | O16 | P13 | O15 | 17.0° | 80.0° |
| P17 | O16 | P13 | O29 | 98.4° | 160.0° |
| O16 | P17 | O19 | H1 | 108.7° | 60.0° |
| O16 | P17 | O18 | H2 | 119.4° | 180.0° |
| O19 | P17 | O16 | P13 | 163.8° | 75.1° |
| O19 | P17 | O18 | H2 | 135.6° | 60.0° |
| O18 | P17 | O16 | P13 | 44.3° | 164.9° |
| O18 | P17 | O19 | H1 | 136.7° | 60.0° |
| O15 | P13 | O16 | O29 | 115.4° | 120.0° |
| O15 | P13 | O29 | C28 | 158.6° | 65.1° |
| O16 | P13 | O29 | C28 | 75.4° | 175.0° |
| O16 | P13 | O15 | H3 | 117.6° | 60.0° |
| P13 | O29 | C28 | C27 | 55.2° | 180.0° |
| O29 | P13 | O15 | H3 | 126.5° | 60.0° |
| P13 | O29 | C28 | H4 | 64.8° | 59.9° |
| P13 | O29 | C28 | H5 | 175.2° | 60.0° |
| O29 | C28 | C27 | H4 | 120.0° | 120.0° |
| O29 | C28 | C27 | H5 | 120.0° | 120.0° |
| O29 | C28 | C27 | C30 | 89.0° | 180.0° |
| O29 | C28 | H4 | H5 | 119.9° | 119.9° |
| O29 | C28 | C27 | H6 | 31.5° | 60.0° |
| O29 | C28 | C27 | H7 | 150.5° | 60.0° |
| C28 | C27 | C30 | H6 | 120.5° | 120.0° |
| C28 | C27 | C30 | H7 | 120.5° | 120.0° |
| C28 | C27 | C30 | C13 | 157.1° | 125.0° |
| C27 | C28 | H4 | H5 | 119.9° | 120.0° |
| C28 | C27 | H6 | H7 | 118.4° | 120.0° |
| C28 | C27 | C30 | H9 | 22.9° | 55.0° |
| C27 | C30 | C13 | H9 | 180.0° | 180.0° |
| C27 | C30 | C13 | O33 | 176.3° | 180.0° |
| C30 | C27 | C28 | H4 | 151.0° | 60.0° |
| C30 | C27 | C28 | H5 | 31.0° | 60.0° |
| C30 | C27 | H6 | H7 | 118.4° | 120.0° |
| C27 | C30 | C13 | H11 | 3.7° | 0.1° |
| C30 | C13 | O33 | H11 | 180.0° | 179.9° |
| C13 | C30 | C27 | H6 | 82.4° | 5.0° |
| C13 | C30 | C27 | H7 | 36.6° | 115.0° |
| C30 | C13 | O33 | H12 | 180.0° | 179.9° |
| O33 | C13 | C30 | H9 | 3.7° | 0.0° |
| H4 | C28 | C27 | H6 | 88.5° | 180.0° |
| H4 | C28 | C27 | H7 | 30.5° | 60.0° |
| H5 | C28 | C27 | H6 | 151.5° | 60.0° |
| H5 | C28 | C27 | H7 | 89.5° | NaN° |
| H6 | C27 | C30 | H9 | 97.6° | 175.0° |
| H7 | C27 | C30 | H9 | 143.4° | 65.1° |
| H9 | C30 | C13 | H11 | 176.3° | 179.9° |
| H11 | C13 | O33 | H12 | 0.0° | 0.0° |
