LRY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | N | sing | 1.35Å | 1.33Å | |
| N | C2 | sing | 1.47Å | 1.45Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| O6 | P | sing | 1.61Å | 1.56Å | |
| OP3 | P | doub | 1.48Å | 1.53Å | |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| P | OP1 | sing | 1.61Å | 1.49Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C5 | C4 | sing | 1.53Å | 1.49Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | C5 | sing | 1.43Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O7 | C7 | doub | 1.21Å | 1.24Å | |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| OP1 | HOP1 | sing | 0.97Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N | C2 | 120.6° | 120.1° |
| C7 | N | HN | 119.7° | 120.1° |
| N | C7 | O7 | 122.4° | 120.0° |
| N | C7 | C8 | 116.8° | 120.0° |
| C2 | N | HN | 119.7° | 119.9° |
| N | C2 | C1 | 108.3° | 109.5° |
| N | C2 | C3 | 115.6° | 109.5° |
| N | C2 | H2 | 106.6° | 109.4° |
| O6 | P | OP3 | 104.1° | 109.5° |
| O6 | P | OP2 | 106.1° | 109.5° |
| O6 | P | OP1 | 108.1° | 109.5° |
| P | O6 | C6 | 123.5° | 123.0° |
| OP3 | P | OP2 | 110.4° | 109.4° |
| OP3 | P | OP1 | 113.2° | 109.4° |
| OP2 | P | OP1 | 114.1° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| P | OP1 | HOP1 | 109.5° | 114.0° |
| O1 | C1 | C2 | 122.6° | 120.0° |
| O1 | C1 | H1 | 118.7° | 120.0° |
| C2 | C1 | H1 | 118.7° | 120.0° |
| C1 | C2 | C3 | 113.5° | 109.5° |
| C1 | C2 | H2 | 106.3° | 109.5° |
| C3 | C2 | H2 | 105.8° | 109.5° |
| C2 | C3 | O3 | 106.5° | 109.5° |
| C2 | C3 | C4 | 116.1° | 109.5° |
| C2 | C3 | H3 | 108.7° | 109.4° |
| O3 | C3 | C4 | 106.6° | 109.5° |
| O3 | C3 | H3 | 110.0° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 108.8° | 109.5° |
| C3 | C4 | C5 | 115.5° | 109.5° |
| C3 | C4 | O4 | 106.5° | 109.5° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| C5 | C4 | O4 | 106.4° | 109.4° |
| C5 | C4 | H4 | 109.3° | 109.5° |
| C4 | C5 | O5 | 105.1° | 109.4° |
| C4 | C5 | C6 | 114.5° | 109.5° |
| C4 | C5 | H5 | 110.2° | 109.5° |
| O4 | C4 | H4 | 110.0° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O5 | C5 | C6 | 106.4° | 109.5° |
| O5 | C5 | H5 | 110.7° | 109.5° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| C6 | C5 | H5 | 109.8° | 109.5° |
| C5 | C6 | O6 | 111.3° | 109.5° |
| C5 | C6 | H6 | 109.0° | 109.5° |
| C5 | C6 | H6A | 109.0° | 109.5° |
| O6 | C6 | H6 | 109.0° | 109.5° |
| O6 | C6 | H6A | 109.0° | 109.4° |
| H6 | C6 | H6A | 109.4° | 109.4° |
| O7 | C7 | C8 | 120.7° | 120.0° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H8A | 109.5° | 109.5° |
| C7 | C8 | H8B | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.4° |
| H8 | C8 | H8B | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N | C2 | HN | 180.0° | 179.7° |
| C7 | N | C2 | C1 | 113.1° | 84.7° |
| C7 | N | C2 | C3 | 118.2° | 155.3° |
| C7 | N | C2 | H2 | 0.9° | 35.2° |
| N | C7 | O7 | C8 | 176.9° | 180.0° |
| N | C7 | C8 | H8 | 177.0° | 90.0° |
| N | C7 | C8 | H8A | 63.0° | 150.0° |
| N | C7 | C8 | H8B | 57.0° | 30.0° |
| N | C2 | C1 | O1 | 176.0° | 3.8° |
| N | C2 | C1 | C3 | 129.8° | 120.1° |
| N | C2 | C1 | H2 | 114.2° | 119.9° |
| N | C2 | C1 | H1 | 4.0° | 176.3° |
| N | C2 | C3 | H2 | 117.8° | 120.0° |
| N | C2 | C3 | O3 | 69.3° | 178.5° |
| N | C2 | C3 | C4 | 49.2° | 58.5° |
| N | C2 | C3 | H3 | 172.3° | 61.5° |
| C2 | N | C7 | O7 | 1.6° | 0.0° |
| C2 | N | C7 | C8 | 175.4° | 180.0° |
| HN | N | C2 | C1 | 66.9° | 95.0° |
| HN | N | C2 | C3 | 61.8° | 25.0° |
| HN | N | C2 | H2 | 179.1° | 145.0° |
| HN | N | C7 | O7 | 178.4° | 179.8° |
| HN | N | C7 | C8 | 4.6° | 0.3° |
| O6 | P | OP3 | OP2 | 113.5° | 120.0° |
| O6 | P | OP3 | OP1 | 117.2° | 120.0° |
| O6 | P | OP2 | OP1 | 118.9° | 120.0° |
| P | O6 | C6 | C5 | 125.2° | 180.0° |
| P | O6 | C6 | H6 | 114.5° | 59.9° |
| P | O6 | C6 | H6A | 4.9° | 60.0° |
| O6 | P | OP1 | HOP1 | 114.8° | 180.0° |
| O6 | P | OP2 | HOP2 | 112.2° | 60.0° |
| OP3 | P | OP2 | OP1 | 128.9° | 119.9° |
| OP3 | P | O6 | C6 | 174.1° | 55.0° |
| OP3 | P | OP1 | HOP1 | 0.0° | 60.0° |
| OP3 | P | OP2 | HOP2 | 0.0° | 180.0° |
| OP2 | P | O6 | C6 | 57.6° | 64.9° |
| OP2 | P | OP1 | HOP1 | 127.4° | 60.0° |
| OP1 | P | O6 | C6 | 65.2° | 175.0° |
| OP1 | P | OP2 | HOP2 | 128.9° | 60.0° |
| O1 | C1 | C2 | H1 | 180.0° | 179.9° |
| O1 | C1 | C2 | C3 | 46.1° | 123.9° |
| O1 | C1 | C2 | H2 | 69.8° | 116.1° |
| C1 | C2 | C3 | H2 | 116.2° | 120.0° |
| C1 | C2 | C3 | O3 | 164.6° | 61.5° |
| C1 | C2 | C3 | C4 | 76.9° | 178.5° |
| C1 | C2 | C3 | H3 | 46.2° | 58.5° |
| H1 | C1 | C2 | C3 | 133.9° | 56.2° |
| H1 | C1 | C2 | H2 | 110.2° | 63.8° |
| C2 | C3 | O3 | C4 | 124.6° | 120.0° |
| C2 | C3 | O3 | H3 | 117.6° | 120.0° |
| C2 | C3 | C4 | H3 | 123.0° | 119.9° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | C5 | 64.7° | 177.6° |
| C2 | C3 | C4 | O4 | 177.3° | 57.7° |
| C2 | C3 | C4 | H4 | 58.7° | 62.4° |
| H2 | C2 | C3 | O3 | 48.5° | 58.5° |
| H2 | C2 | C3 | C4 | 166.9° | 61.5° |
| H2 | C2 | C3 | H3 | 70.0° | 178.5° |
| O3 | C3 | C4 | H3 | 118.5° | 120.0° |
| O3 | C3 | C4 | C5 | 176.8° | 57.6° |
| O3 | C3 | C4 | O4 | 58.9° | 62.3° |
| O3 | C3 | C4 | H4 | 59.7° | 177.6° |
| C4 | C3 | O3 | HO3 | 55.4° | 60.0° |
| C3 | C4 | C5 | O4 | 118.0° | 119.9° |
| C3 | C4 | C5 | H4 | 123.3° | 120.0° |
| C3 | C4 | O4 | H4 | 118.0° | 120.1° |
| C3 | C4 | O4 | HO4 | 180.0° | 59.9° |
| C3 | C4 | C5 | O5 | 74.3° | 60.0° |
| C3 | C4 | C5 | C6 | 169.4° | 180.0° |
| C3 | C4 | C5 | H5 | 45.0° | 59.9° |
| H3 | C3 | O3 | HO3 | 62.3° | 180.0° |
| H3 | C3 | C4 | C5 | 58.3° | 62.4° |
| H3 | C3 | C4 | O4 | 59.6° | 177.7° |
| H3 | C3 | C4 | H4 | 178.3° | 57.6° |
| C5 | C4 | O4 | H4 | 118.3° | 120.0° |
| C5 | C4 | O4 | HO4 | 56.2° | 60.0° |
| C4 | C5 | O5 | C6 | 121.8° | 120.0° |
| C4 | C5 | O5 | H5 | 119.0° | 120.0° |
| C4 | C5 | C6 | H5 | 124.6° | 120.0° |
| C4 | C5 | O5 | HO5 | 180.0° | 60.0° |
| C4 | C5 | C6 | O6 | 44.9° | 175.0° |
| C4 | C5 | C6 | H6 | 165.2° | 55.0° |
| C4 | C5 | C6 | H6A | 75.3° | 65.0° |
| O4 | C4 | C5 | O5 | 167.7° | 180.0° |
| O4 | C4 | C5 | C6 | 51.4° | 60.0° |
| O4 | C4 | C5 | H5 | 73.0° | 60.0° |
| H4 | C4 | O4 | HO4 | 62.1° | 180.0° |
| H4 | C4 | C5 | O5 | 49.0° | 60.0° |
| H4 | C4 | C5 | C6 | 67.4° | 60.0° |
| H4 | C4 | C5 | H5 | 168.3° | 180.0° |
| O5 | C5 | C6 | H5 | 119.9° | 120.0° |
| O5 | C5 | C6 | O6 | 70.6° | 65.0° |
| O5 | C5 | C6 | H6 | 49.7° | 175.0° |
| O5 | C5 | C6 | H6A | 169.1° | 55.0° |
| C6 | C5 | O5 | HO5 | 58.3° | 60.0° |
| C5 | C6 | O6 | H6 | 120.3° | 120.0° |
| C5 | C6 | O6 | H6A | 120.3° | 120.0° |
| C5 | C6 | H6 | H6A | 119.1° | 120.0° |
| H5 | C5 | O5 | HO5 | 61.0° | 180.0° |
| H5 | C5 | C6 | O6 | 169.5° | 55.0° |
| H5 | C5 | C6 | H6 | 70.2° | 65.0° |
| H5 | C5 | C6 | H6A | 49.2° | 175.0° |
| O6 | C6 | H6 | H6A | 119.2° | 119.9° |
| O7 | C7 | C8 | H8 | 0.0° | 90.0° |
| O7 | C7 | C8 | H8A | 120.0° | 30.0° |
| O7 | C7 | C8 | H8B | 120.0° | 150.1° |
| C7 | C8 | H8 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8B | 120.0° | 120.0° |
| C7 | C8 | H8A | H8B | 120.0° | 120.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
