LY0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | P | sing | 1.82Å | 1.83Å | |
| O31 | P | doub | 1.48Å | 1.51Å | |
| P | O32 | sing | 1.61Å | 1.57Å | |
| P | C4 | sing | 1.82Å | 1.84Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.47Å | 1.45Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | C7 | sing | 1.53Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O62 | C6 | doub | 1.21Å | 1.24Å | |
| C6 | O61 | sing | 1.34Å | 1.36Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| O61 | HO61 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | P | O31 | 105.5° | 109.5° |
| C2 | P | O32 | 108.9° | 109.4° |
| C2 | P | C4 | 110.3° | 109.5° |
| P | C2 | C1 | 113.1° | 109.5° |
| P | C2 | N1 | 109.2° | 109.5° |
| P | C2 | H2 | 108.6° | 109.5° |
| O31 | P | O32 | 108.5° | 109.5° |
| O31 | P | C4 | 112.1° | 109.5° |
| O32 | P | C4 | 111.4° | 109.5° |
| P | O32 | HO32 | 109.5° | 114.1° |
| P | C4 | C5 | 115.4° | 109.4° |
| P | C4 | H4 | 107.5° | 109.5° |
| P | C4 | H4A | 107.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.4° | 109.5° |
| C2 | C1 | H1B | 109.4° | 109.4° |
| C1 | C2 | N1 | 113.3° | 109.5° |
| C1 | C2 | H2 | 104.1° | 109.4° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| C2 | N1 | HN1 | 109.5° | 111.0° |
| C2 | N1 | HN1A | 109.5° | 111.0° |
| N1 | C2 | H2 | 108.3° | 109.5° |
| HN1 | N1 | HN1A | 109.5° | 111.0° |
| C5 | C4 | H4 | 107.5° | 109.4° |
| C5 | C4 | H4A | 107.5° | 109.5° |
| C4 | C5 | C6 | 113.2° | 109.4° |
| C4 | C5 | C7 | 114.6° | 109.5° |
| C4 | C5 | H5 | 104.8° | 109.5° |
| H4 | C4 | H4A | 111.3° | 109.5° |
| C6 | C5 | C7 | 114.5° | 109.5° |
| C6 | C5 | H5 | 105.0° | 109.5° |
| C5 | C6 | O62 | 121.7° | 120.0° |
| C5 | C6 | O61 | 119.1° | 120.0° |
| C7 | C5 | H5 | 103.2° | 109.5° |
| C5 | C7 | H7 | 109.5° | 109.5° |
| C5 | C7 | H7A | 109.5° | 109.5° |
| C5 | C7 | H7B | 109.5° | 109.5° |
| O62 | C6 | O61 | 119.3° | 120.0° |
| C6 | O61 | HO61 | 109.5° | 117.1° |
| H7 | C7 | H7A | 109.5° | 109.4° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | P | O31 | O32 | 116.6° | 120.0° |
| C2 | P | O31 | C4 | 120.0° | 120.0° |
| C2 | P | O32 | C4 | 121.8° | 120.0° |
| P | C2 | C1 | N1 | 124.9° | 120.0° |
| P | C2 | C1 | H2 | 117.6° | 120.0° |
| P | C2 | C1 | H1 | 180.0° | 60.0° |
| P | C2 | C1 | H1A | 60.0° | 60.0° |
| P | C2 | C1 | H1B | 60.0° | 180.0° |
| P | C2 | N1 | H2 | 118.1° | 120.0° |
| P | C2 | N1 | HN1 | 180.0° | 56.0° |
| P | C2 | N1 | HN1A | 60.0° | 179.9° |
| C2 | P | C4 | C5 | 132.0° | 175.0° |
| C2 | P | C4 | H4 | 107.9° | 55.0° |
| C2 | P | C4 | H4A | 12.0° | 65.0° |
| C2 | P | O32 | HO32 | 114.3° | 60.0° |
| O31 | P | O32 | C4 | 123.9° | 120.0° |
| O31 | P | C2 | C1 | 172.6° | 180.0° |
| O31 | P | C2 | N1 | 45.5° | 60.0° |
| O31 | P | C2 | H2 | 72.4° | 60.0° |
| O31 | P | C4 | C5 | 110.8° | 55.0° |
| O31 | P | C4 | H4 | 9.2° | 65.0° |
| O31 | P | C4 | H4A | 129.2° | 175.0° |
| O31 | P | O32 | HO32 | 0.0° | 180.0° |
| O32 | P | C2 | C1 | 56.3° | 60.0° |
| O32 | P | C2 | N1 | 70.8° | 60.0° |
| O32 | P | C2 | H2 | 171.3° | 180.0° |
| O32 | P | C4 | C5 | 11.0° | 65.0° |
| O32 | P | C4 | H4 | 131.1° | 175.0° |
| O32 | P | C4 | H4A | 109.0° | 54.9° |
| C4 | P | C2 | C1 | 66.2° | 60.0° |
| C4 | P | C2 | N1 | 166.7° | 180.0° |
| C4 | P | C2 | H2 | 48.8° | 60.0° |
| P | C4 | C5 | H4 | 120.0° | 120.0° |
| P | C4 | C5 | H4A | 120.0° | 120.0° |
| P | C4 | H4 | H4A | 117.5° | 120.0° |
| P | C4 | C5 | C6 | 46.7° | 165.0° |
| P | C4 | C5 | C7 | 179.5° | 75.0° |
| P | C4 | C5 | H5 | 67.2° | 45.0° |
| C4 | P | O32 | HO32 | 123.9° | 60.0° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | N1 | H2 | 114.9° | 120.0° |
| C1 | C2 | N1 | HN1 | 53.0° | 64.0° |
| C1 | C2 | N1 | HN1A | 173.0° | 59.9° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | N1 | 55.1° | 60.0° |
| H1 | C1 | C2 | H2 | 62.4° | 180.0° |
| H1A | C1 | C2 | N1 | 64.9° | 180.0° |
| H1A | C1 | C2 | H2 | 177.6° | 60.0° |
| H1B | C1 | C2 | N1 | 175.1° | 60.0° |
| H1B | C1 | C2 | H2 | 57.6° | 60.0° |
| C2 | N1 | HN1 | HN1A | 120.0° | 124.0° |
| HN1 | N1 | C2 | H2 | 61.9° | 176.0° |
| HN1A | N1 | C2 | H2 | 58.1° | 60.0° |
| C5 | C4 | H4 | H4A | 117.6° | 120.0° |
| C4 | C5 | C6 | C7 | 133.9° | 120.0° |
| C4 | C5 | C6 | H5 | 113.7° | 120.0° |
| C4 | C5 | C7 | H5 | 113.3° | 120.0° |
| C4 | C5 | C6 | O62 | 13.1° | 0.0° |
| C4 | C5 | C6 | O61 | 165.9° | 180.0° |
| C4 | C5 | C7 | H7 | 180.0° | 180.0° |
| C4 | C5 | C7 | H7A | 60.0° | 60.0° |
| C4 | C5 | C7 | H7B | 60.0° | 60.0° |
| H4 | C4 | C5 | C6 | 73.3° | 45.0° |
| H4 | C4 | C5 | C7 | 60.5° | 165.0° |
| H4 | C4 | C5 | H5 | 172.8° | 75.0° |
| H4A | C4 | C5 | C6 | 166.7° | 75.0° |
| H4A | C4 | C5 | C7 | 59.5° | 45.0° |
| H4A | C4 | C5 | H5 | 52.8° | 165.0° |
| C6 | C5 | C7 | H5 | 113.5° | 120.0° |
| C5 | C6 | O62 | O61 | 179.0° | 179.9° |
| C6 | C5 | C7 | H7 | 46.8° | 60.0° |
| C6 | C5 | C7 | H7A | 73.2° | 60.0° |
| C6 | C5 | C7 | H7B | 166.8° | 180.0° |
| C5 | C6 | O61 | HO61 | 179.0° | 180.0° |
| C7 | C5 | C6 | O62 | 120.8° | 119.9° |
| C7 | C5 | C6 | O61 | 60.3° | 60.0° |
| C5 | C7 | H7 | H7A | 120.0° | 120.0° |
| C5 | C7 | H7 | H7B | 120.0° | 120.0° |
| C5 | C7 | H7A | H7B | 120.0° | 120.0° |
| H5 | C5 | C6 | O62 | 126.8° | 120.0° |
| H5 | C5 | C6 | O61 | 52.1° | 60.0° |
| H5 | C5 | C7 | H7 | 66.7° | 60.0° |
| H5 | C5 | C7 | H7A | 173.3° | 180.0° |
| H5 | C5 | C7 | H7B | 53.3° | 60.0° |
| O62 | C6 | O61 | HO61 | 0.0° | 0.0° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
