52L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | C17 | doub | 1.21Å | 1.26Å | |
| O30 | C17 | sing | 1.35Å | 1.26Å | |
| C17 | C1 | sing | 1.47Å | 1.48Å | |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| C1 | N1 | doub | 1.29Å | 1.27Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| N1 | O27 | sing | 1.42Å | 1.40Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| O6 | C6 | sing | 1.43Å | 1.44Å | |
| O6 | P | sing | 1.61Å | 1.62Å | |
| O1P | P | doub | 1.48Å | 1.52Å | |
| P | O3P | sing | 1.61Å | 1.51Å | |
| P | O2P | sing | 1.61Å | 1.52Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| O30 | H5 | sing | 0.97Å | 0.95Å | |
| O27 | H6 | sing | 0.97Å | 0.95Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| O3 | H10 | sing | 0.97Å | 0.95Å | |
| O4 | H11 | sing | 0.97Å | 0.95Å | |
| O5 | H12 | sing | 0.97Å | 0.95Å | |
| O2P | H13 | sing | 0.97Å | 0.95Å | |
| O3P | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | C17 | O30 | 120.3° | 120.0° |
| O29 | C17 | C1 | 119.7° | 120.0° |
| O30 | C17 | C1 | 119.9° | 120.0° |
| C17 | O30 | H5 | 109.5° | 117.1° |
| C17 | C1 | N1 | 118.7° | 120.0° |
| C17 | C1 | C2 | 124.3° | 120.0° |
| O3 | C3 | C2 | 109.8° | 109.4° |
| O3 | C3 | C4 | 110.9° | 109.4° |
| O3 | C3 | H9 | 109.2° | 109.5° |
| C3 | O3 | H10 | 109.5° | 114.1° |
| N1 | C1 | C2 | 117.0° | 120.1° |
| C1 | N1 | O27 | 121.2° | 120.0° |
| C1 | C2 | C3 | 110.1° | 109.4° |
| C1 | C2 | H7 | 109.3° | 109.5° |
| C1 | C2 | H8 | 109.3° | 109.5° |
| N1 | O27 | H6 | 109.5° | 114.0° |
| C2 | C3 | C4 | 110.7° | 109.5° |
| C3 | C2 | H7 | 109.3° | 109.5° |
| C3 | C2 | H8 | 109.3° | 109.4° |
| C2 | C3 | H9 | 108.0° | 109.5° |
| C3 | C4 | C5 | 113.9° | 109.5° |
| C3 | C4 | O4 | 109.5° | 109.5° |
| C3 | C4 | H1 | 107.6° | 109.5° |
| C4 | C3 | H9 | 108.0° | 109.5° |
| O5 | C5 | C4 | 111.6° | 109.5° |
| O5 | C5 | C6 | 109.6° | 109.5° |
| O5 | C5 | H2 | 108.9° | 109.5° |
| C5 | O5 | H12 | 109.5° | 114.0° |
| C4 | C5 | C6 | 111.3° | 109.5° |
| C5 | C4 | O4 | 109.4° | 109.5° |
| C5 | C4 | H1 | 107.6° | 109.4° |
| C4 | C5 | H2 | 107.6° | 109.5° |
| C5 | C6 | O6 | 110.5° | 109.5° |
| C6 | C5 | H2 | 107.7° | 109.4° |
| C5 | C6 | H3 | 109.2° | 109.5° |
| C5 | C6 | H4 | 109.2° | 109.4° |
| O4 | C4 | H1 | 108.7° | 109.4° |
| C4 | O4 | H11 | 109.5° | 114.0° |
| C6 | O6 | P | 122.3° | 123.0° |
| O6 | C6 | H3 | 109.2° | 109.5° |
| O6 | C6 | H4 | 109.2° | 109.5° |
| O6 | P | O1P | 102.5° | 109.4° |
| O6 | P | O3P | 105.0° | 109.5° |
| O6 | P | O2P | 104.6° | 109.5° |
| O1P | P | O3P | 114.8° | 109.5° |
| O1P | P | O2P | 114.0° | 109.5° |
| O3P | P | O2P | 114.2° | 109.5° |
| P | O3P | H14 | 109.5° | 114.0° |
| P | O2P | H13 | 109.5° | 114.0° |
| H3 | C6 | H4 | 109.4° | 109.5° |
| H7 | C2 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | C17 | O30 | C1 | 179.3° | 180.0° |
| O29 | C17 | C1 | N1 | 11.0° | 180.0° |
| O29 | C17 | C1 | C2 | 170.1° | 0.0° |
| O29 | C17 | O30 | H5 | 0.0° | 0.1° |
| O30 | C17 | C1 | N1 | 168.4° | 0.0° |
| O30 | C17 | C1 | C2 | 10.5° | 179.9° |
| C17 | C1 | N1 | C2 | 179.0° | 179.9° |
| C17 | C1 | N1 | O27 | 179.9° | 174.9° |
| C17 | C1 | C2 | C3 | 90.1° | 95.4° |
| C1 | C17 | O30 | H5 | 179.3° | 179.9° |
| C17 | C1 | C2 | H7 | 30.0° | 24.6° |
| C17 | C1 | C2 | H8 | 149.8° | 144.7° |
| O3 | C3 | C2 | C1 | 68.7° | 64.8° |
| O3 | C3 | C2 | C4 | 122.8° | 119.9° |
| O3 | C3 | C2 | H9 | 119.0° | 120.1° |
| O3 | C3 | C4 | H9 | 119.7° | 120.0° |
| O3 | C3 | C4 | C5 | 64.5° | 55.0° |
| O3 | C3 | C4 | O4 | 58.4° | 65.0° |
| O3 | C3 | C4 | H1 | 176.4° | 175.0° |
| O3 | C3 | C2 | H7 | 51.4° | 55.2° |
| O3 | C3 | C2 | H8 | 171.3° | 175.2° |
| N1 | C1 | C2 | C3 | 88.8° | 84.7° |
| C1 | N1 | O27 | H6 | 180.0° | 180.0° |
| N1 | C1 | C2 | H7 | 151.1° | 155.3° |
| N1 | C1 | C2 | H8 | 31.3° | 35.3° |
| C2 | C1 | N1 | O27 | 0.9° | 5.1° |
| C1 | C2 | C3 | H7 | 120.1° | 120.0° |
| C1 | C2 | C3 | H8 | 120.1° | 119.9° |
| C1 | C2 | C3 | C4 | 168.5° | 175.2° |
| C1 | C2 | H7 | H8 | 119.7° | 120.0° |
| C1 | C2 | C3 | H9 | 50.4° | 55.2° |
| C2 | C3 | C4 | H9 | 118.1° | 120.0° |
| C2 | C3 | C4 | C5 | 173.3° | 175.0° |
| C2 | C3 | C4 | O4 | 63.8° | 55.0° |
| C2 | C3 | C4 | H1 | 54.2° | 65.0° |
| C3 | C2 | H7 | H8 | 119.8° | 120.0° |
| C2 | C3 | O3 | H10 | 180.0° | 60.0° |
| C3 | C4 | C5 | O5 | 38.4° | 60.0° |
| C3 | C4 | C5 | O4 | 122.9° | 120.0° |
| C3 | C4 | C5 | H1 | 119.1° | 120.0° |
| C3 | C4 | C5 | C6 | 161.3° | 180.0° |
| C3 | C4 | O4 | H1 | 117.3° | 120.0° |
| C3 | C4 | C5 | H2 | 81.0° | 60.0° |
| C4 | C3 | C2 | H7 | 71.4° | 64.8° |
| C4 | C3 | C2 | H8 | 48.4° | 55.3° |
| C4 | C3 | O3 | H10 | 57.3° | 60.0° |
| C3 | C4 | O4 | H11 | 180.0° | 60.0° |
| O5 | C5 | C4 | C6 | 122.8° | 120.0° |
| O5 | C5 | C4 | H2 | 119.4° | 120.0° |
| O5 | C5 | C6 | H2 | 118.4° | 120.0° |
| O5 | C5 | C4 | O4 | 161.3° | 180.0° |
| O5 | C5 | C6 | O6 | 69.1° | 65.0° |
| O5 | C5 | C4 | H1 | 80.7° | 60.0° |
| O5 | C5 | C6 | H3 | 170.8° | 175.0° |
| O5 | C5 | C6 | H4 | 51.1° | 55.0° |
| C4 | C5 | C6 | H2 | 117.7° | 120.0° |
| C5 | C4 | O4 | H1 | 117.3° | 120.0° |
| C4 | C5 | C6 | O6 | 167.0° | 175.0° |
| C4 | C5 | C6 | H3 | 46.8° | 55.0° |
| C4 | C5 | C6 | H4 | 72.8° | 65.0° |
| C5 | C4 | C3 | H9 | 55.2° | 65.0° |
| C5 | C4 | O4 | H11 | 54.5° | 60.0° |
| C4 | C5 | O5 | H12 | 180.0° | 60.0° |
| C6 | C5 | C4 | O4 | 75.9° | 60.0° |
| C5 | C6 | O6 | H3 | 120.2° | 120.0° |
| C5 | C6 | O6 | H4 | 120.2° | 120.0° |
| C5 | C6 | O6 | P | 168.8° | 180.0° |
| C6 | C5 | C4 | H1 | 42.1° | 60.0° |
| C5 | C6 | H3 | H4 | 119.5° | 120.0° |
| C6 | C5 | O5 | H12 | 56.2° | 60.0° |
| O4 | C4 | C5 | H2 | 41.9° | 60.0° |
| O4 | C4 | C3 | H9 | 178.1° | 175.0° |
| C6 | O6 | P | O1P | 172.4° | 55.0° |
| C6 | O6 | P | O3P | 67.4° | 65.0° |
| C6 | O6 | P | O2P | 53.1° | 175.0° |
| O6 | C6 | C5 | H2 | 49.3° | 55.0° |
| O6 | C6 | H3 | H4 | 119.5° | 120.0° |
| O6 | P | O1P | O3P | 113.2° | 120.0° |
| O6 | P | O1P | O2P | 112.5° | 120.0° |
| O6 | P | O3P | O2P | 114.0° | 120.0° |
| P | O6 | C6 | H3 | 71.0° | 60.0° |
| P | O6 | C6 | H4 | 48.7° | 60.1° |
| O6 | P | O2P | H13 | 111.2° | 180.0° |
| O6 | P | O3P | H14 | 111.8° | 60.0° |
| O1P | P | O3P | O2P | 134.3° | 120.0° |
| O1P | P | O2P | H13 | 0.0° | 60.0° |
| O1P | P | O3P | H14 | 0.0° | 180.0° |
| O3P | P | O2P | H13 | 134.6° | 60.0° |
| O2P | P | O3P | H14 | 134.3° | 60.0° |
| H1 | C4 | C5 | H2 | 159.9° | 180.0° |
| H1 | C4 | C3 | H9 | 63.9° | 55.0° |
| H1 | C4 | O4 | H11 | 62.8° | 180.0° |
| H2 | C5 | C6 | H3 | 70.9° | 65.0° |
| H2 | C5 | C6 | H4 | 169.5° | 175.0° |
| H2 | C5 | O5 | H12 | 61.3° | 180.0° |
| H7 | C2 | C3 | H9 | 170.4° | 175.2° |
| H8 | C2 | C3 | H9 | 69.7° | 64.7° |
| H9 | C3 | O3 | H10 | 61.7° | 180.0° |
