0CN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | P17 | doub | 1.48Å | 1.49Å | |
| O14 | P13 | doub | 1.48Å | 1.49Å | |
| O15 | P13 | sing | 1.61Å | 1.46Å | |
| P17 | O16 | sing | 1.61Å | 1.58Å | |
| P17 | O20 | sing | 1.61Å | 1.42Å | |
| P17 | O18 | sing | 1.61Å | 1.45Å | |
| O16 | P13 | sing | 1.61Å | 1.59Å | |
| P13 | O29 | sing | 1.61Å | 1.54Å | |
| O29 | C28 | sing | 1.43Å | 1.42Å | |
| C13 | C30 | doub | 1.31Å | 1.40Å | |
| C30 | C27 | doub | 1.31Å | 1.38Å | |
| C28 | C27 | sing | 1.51Å | 1.49Å | |
| O15 | H1 | sing | 0.97Å | 0.95Å | |
| O18 | H2 | sing | 0.97Å | 0.95Å | |
| O20 | H3 | sing | 0.97Å | 0.95Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | P17 | O16 | 104.6° | 109.5° |
| O19 | P17 | O20 | 109.9° | 109.4° |
| O19 | P17 | O18 | 114.2° | 109.5° |
| O14 | P13 | O15 | 114.6° | 109.5° |
| O14 | P13 | O16 | 108.2° | 109.4° |
| O14 | P13 | O29 | 109.3° | 109.4° |
| O15 | P13 | O16 | 116.7° | 109.5° |
| O15 | P13 | O29 | 100.9° | 109.5° |
| P13 | O15 | H1 | 109.5° | 114.0° |
| O16 | P17 | O20 | 102.8° | 109.5° |
| O16 | P17 | O18 | 110.4° | 109.5° |
| P17 | O16 | P13 | 130.3° | 134.0° |
| O20 | P17 | O18 | 113.8° | 109.5° |
| P17 | O20 | H3 | 109.5° | 114.0° |
| P17 | O18 | H2 | 109.5° | 114.0° |
| O16 | P13 | O29 | 106.4° | 109.5° |
| P13 | O29 | C28 | 124.2° | 123.0° |
| O29 | C28 | C27 | 110.9° | 109.5° |
| O29 | C28 | H4 | 109.1° | 109.5° |
| O29 | C28 | H5 | 109.1° | 109.5° |
| C13 | C30 | C27 | 179.0° | 179.9° |
| C30 | C13 | H10 | 120.0° | 120.0° |
| C30 | C13 | H11 | 120.0° | 120.0° |
| C30 | C27 | C28 | 119.1° | 120.1° |
| C30 | C27 | H6 | 120.4° | 119.9° |
| C27 | C28 | H4 | 109.1° | 109.5° |
| C27 | C28 | H5 | 109.1° | 109.5° |
| C28 | C27 | H6 | 120.5° | 120.0° |
| H4 | C28 | H5 | 109.5° | 109.4° |
| H10 | C13 | H11 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | P17 | O16 | O20 | 114.9° | 120.0° |
| O19 | P17 | O16 | O18 | 123.3° | 120.0° |
| O19 | P17 | O20 | O18 | 129.6° | 120.0° |
| O19 | P17 | O16 | P13 | 93.8° | 40.0° |
| O19 | P17 | O18 | H2 | 0.0° | 179.9° |
| O19 | P17 | O20 | H3 | 0.0° | 60.0° |
| O14 | P13 | O15 | O16 | 128.0° | 120.0° |
| O14 | P13 | O15 | O29 | 117.3° | 120.0° |
| O14 | P13 | O16 | P17 | 159.4° | 40.1° |
| O14 | P13 | O16 | O29 | 117.4° | 119.9° |
| O14 | P13 | O29 | C28 | 46.7° | 55.1° |
| O14 | P13 | O15 | H1 | 0.0° | 180.0° |
| O15 | P13 | O16 | P17 | 28.4° | 79.9° |
| O15 | P13 | O16 | O29 | 111.6° | 120.1° |
| O15 | P13 | O29 | C28 | 167.8° | 64.9° |
| O16 | P17 | O20 | O18 | 119.4° | 120.0° |
| P17 | O16 | P13 | O29 | 83.2° | 160.0° |
| O16 | P17 | O18 | H2 | 117.5° | 60.0° |
| O16 | P17 | O20 | H3 | 110.9° | 180.0° |
| O20 | P17 | O16 | P13 | 151.4° | 159.9° |
| O20 | P17 | O18 | H2 | 127.5° | 60.0° |
| O18 | P17 | O16 | P13 | 29.6° | 80.1° |
| O18 | P17 | O20 | H3 | 129.7° | 60.0° |
| O16 | P13 | O29 | C28 | 69.9° | 175.0° |
| O16 | P13 | O15 | H1 | 128.1° | 60.0° |
| P13 | O29 | C28 | C27 | 62.6° | 179.9° |
| O29 | P13 | O15 | H1 | 117.2° | 60.0° |
| P13 | O29 | C28 | H4 | 57.6° | 60.0° |
| P13 | O29 | C28 | H5 | 177.2° | 59.9° |
| O29 | C28 | C27 | C30 | 126.2° | 125.0° |
| O29 | C28 | C27 | H4 | 120.2° | 120.0° |
| O29 | C28 | C27 | H5 | 120.2° | 120.0° |
| O29 | C28 | H4 | H5 | 119.3° | 120.0° |
| O29 | C28 | C27 | H6 | 53.9° | 55.1° |
| C13 | C30 | C27 | C28 | 172.2° | 20.9° |
| C13 | C30 | C27 | H6 | 7.9° | 159.2° |
| C30 | C13 | H10 | H11 | 180.0° | 180.0° |
| C30 | C27 | C28 | H6 | 180.0° | 180.0° |
| C30 | C27 | C28 | H4 | 6.0° | 5.0° |
| C30 | C27 | C28 | H5 | 113.6° | 115.0° |
| C27 | C30 | C13 | H10 | 97.8° | 69.1° |
| C27 | C30 | C13 | H11 | 82.2° | 110.9° |
| C27 | C28 | H4 | H5 | 119.4° | 120.0° |
| H4 | C28 | C27 | H6 | 174.1° | 175.1° |
| H5 | C28 | C27 | H6 | 66.3° | 65.0° |
