OA8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.51Å | 1.53Å | |
| O07 | C23 | sing | 1.34Å | 1.39Å | |
| O07 | C01 | sing | 1.45Å | 1.39Å | |
| C03 | C08 | sing | 1.53Å | 1.53Å | |
| C03 | C01 | sing | 1.53Å | 1.52Å | |
| C03 | O04 | sing | 1.43Å | 1.39Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | O22 | sing | 1.43Å | 1.40Å | |
| C02 | C05 | sing | 1.53Å | 1.54Å | |
| C06 | O04 | sing | 1.43Å | 1.40Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C08 | O09 | sing | 1.43Å | 1.40Å | |
| C23 | O25 | doub | 1.21Å | 1.17Å | |
| C05 | N12 | sing | 1.46Å | 1.45Å | |
| O47 | P16 | doub | 1.48Å | 1.64Å | |
| O09 | P16 | sing | 1.61Å | 1.65Å | |
| N12 | C13 | sing | 1.35Å | 1.45Å | |
| P16 | O18 | sing | 1.61Å | 1.47Å | |
| P16 | O17 | sing | 1.61Å | 1.48Å | |
| O15 | C13 | doub | 1.21Å | 1.19Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| O17 | H16 | sing | 0.97Å | 0.95Å | |
| O18 | H17 | sing | 0.97Å | 0.95Å | |
| O22 | H18 | sing | 0.97Å | 0.95Å | |
| C06 | OXT | sing | 1.43Å | 77.15Å | |
| OXT | H10 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | O07 | 119.7° | 119.9° |
| C24 | C23 | O25 | 121.2° | 120.0° |
| C23 | C24 | H2 | 109.5° | 109.5° |
| C23 | C24 | H3 | 109.4° | 109.5° |
| C23 | C24 | H4 | 109.5° | 109.4° |
| C23 | O07 | C01 | 114.6° | 117.0° |
| O07 | C23 | O25 | 119.1° | 120.1° |
| O07 | C01 | C03 | 104.9° | 109.5° |
| O07 | C01 | C02 | 110.8° | 109.5° |
| O07 | C01 | H5 | 112.0° | 109.6° |
| C08 | C03 | C01 | 107.7° | 109.5° |
| C08 | C03 | O04 | 109.4° | 109.5° |
| C03 | C08 | O09 | 109.8° | 109.5° |
| C08 | C03 | H7 | 109.1° | 109.5° |
| C03 | C08 | H11 | 109.4° | 109.5° |
| C03 | C08 | H12 | 109.4° | 109.5° |
| C01 | C03 | O04 | 110.4° | 109.4° |
| C03 | C01 | C02 | 109.2° | 109.1° |
| C03 | C01 | H5 | 110.0° | 109.5° |
| C01 | C03 | H7 | 109.2° | 109.5° |
| C03 | O04 | C06 | 111.0° | 114.1° |
| O04 | C03 | H7 | 111.1° | 109.5° |
| C01 | C02 | O22 | 110.8° | 109.5° |
| C01 | C02 | C05 | 110.1° | 109.0° |
| C02 | C01 | H5 | 109.9° | 109.5° |
| C01 | C02 | H6 | 107.5° | 109.5° |
| O22 | C02 | C05 | 111.7° | 109.6° |
| O22 | C02 | H6 | 109.2° | 109.6° |
| C02 | O22 | H18 | 109.5° | 114.0° |
| C02 | C05 | C06 | 109.1° | 109.2° |
| C02 | C05 | N12 | 112.5° | 109.5° |
| C05 | C02 | H6 | 107.4° | 109.6° |
| C02 | C05 | H8 | 109.6° | 109.5° |
| O04 | C06 | C05 | 109.5° | 109.4° |
| O04 | C06 | H9 | 124.6° | 109.4° |
| O04 | C06 | OXT | 93.3° | 109.5° |
| C06 | C05 | N12 | 104.8° | 109.5° |
| C06 | C05 | H8 | 109.9° | 109.6° |
| C05 | C06 | H9 | 121.7° | 109.5° |
| C05 | C06 | OXT | 107.6° | 109.5° |
| C08 | O09 | P16 | 119.7° | 123.0° |
| O09 | C08 | H11 | 109.4° | 109.4° |
| O09 | C08 | H12 | 109.4° | 109.5° |
| C05 | N12 | C13 | 118.1° | 120.0° |
| C05 | N12 | H1 | 121.0° | 120.0° |
| N12 | C05 | H8 | 110.9° | 109.5° |
| O47 | P16 | O09 | 110.7° | 109.4° |
| O47 | P16 | O18 | 108.2° | 109.5° |
| O47 | P16 | O17 | 113.0° | 109.5° |
| O09 | P16 | O18 | 113.7° | 109.5° |
| O09 | P16 | O17 | 105.7° | 109.5° |
| N12 | C13 | O15 | 119.7° | 120.0° |
| N12 | C13 | C14 | 119.4° | 120.0° |
| C13 | N12 | H1 | 120.9° | 120.0° |
| O18 | P16 | O17 | 105.6° | 109.5° |
| P16 | O18 | H17 | 109.5° | 114.0° |
| P16 | O17 | H16 | 109.5° | 114.0° |
| O15 | C13 | C14 | 120.8° | 120.0° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| C13 | C14 | H15 | 109.5° | 109.5° |
| H2 | C24 | H3 | 109.5° | 109.5° |
| H2 | C24 | H4 | 109.5° | 109.4° |
| H3 | C24 | H4 | 109.5° | 109.5° |
| H9 | C06 | OXT | 90.6° | 109.5° |
| H11 | C08 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.4° | 109.4° |
| H13 | C14 | H15 | 109.4° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| C06 | OXT | H10 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | O07 | O25 | 179.3° | 179.9° |
| C24 | C23 | O07 | C01 | 162.8° | 180.0° |
| C23 | C24 | H2 | H3 | 120.0° | 120.1° |
| C23 | C24 | H2 | H4 | 120.0° | 120.0° |
| C23 | C24 | H3 | H4 | 120.0° | 120.0° |
| C23 | O07 | C01 | C03 | 153.8° | 90.2° |
| C23 | O07 | C01 | C02 | 88.4° | 150.1° |
| O07 | C23 | C24 | H2 | 179.3° | 90.0° |
| O07 | C23 | C24 | H3 | 60.8° | 30.0° |
| O07 | C23 | C24 | H4 | 59.2° | 150.0° |
| C23 | O07 | C01 | H5 | 34.6° | 30.0° |
| O07 | C01 | C03 | C08 | 64.1° | 62.5° |
| O07 | C01 | C03 | C02 | 118.8° | 119.9° |
| O07 | C01 | C03 | H5 | 120.6° | 120.2° |
| O07 | C01 | C03 | O04 | 176.5° | 177.6° |
| O07 | C01 | C02 | H5 | 124.2° | 120.2° |
| O07 | C01 | C02 | O22 | 70.0° | 63.2° |
| O07 | C01 | C02 | C05 | 165.9° | 177.0° |
| C01 | O07 | C23 | O25 | 16.5° | 0.1° |
| O07 | C01 | C02 | H6 | 49.2° | 57.0° |
| O07 | C01 | C03 | H7 | 54.1° | 57.6° |
| C08 | C03 | C01 | O04 | 119.4° | 120.0° |
| C08 | C03 | C01 | H7 | 118.3° | 120.0° |
| C08 | C03 | O04 | H7 | 120.4° | 120.0° |
| C08 | C03 | C01 | C02 | 177.1° | 177.6° |
| C08 | C03 | O04 | C06 | 175.1° | 178.9° |
| C03 | C08 | O09 | H11 | 120.1° | 120.0° |
| C03 | C08 | O09 | H12 | 120.0° | 120.0° |
| C03 | C08 | O09 | P16 | 162.3° | 180.0° |
| C08 | C03 | C01 | H5 | 56.4° | 57.7° |
| C03 | C08 | H11 | H12 | 119.8° | 120.0° |
| C01 | C03 | O04 | H7 | 121.2° | 120.0° |
| C03 | C01 | C02 | H5 | 120.7° | 119.9° |
| C03 | C01 | C02 | O22 | 174.9° | 176.9° |
| C03 | C01 | C02 | C05 | 50.8° | 57.0° |
| C01 | C03 | O04 | C06 | 66.5° | 61.2° |
| C01 | C03 | C08 | O09 | 41.7° | 175.0° |
| C03 | C01 | C02 | H6 | 65.9° | 62.9° |
| C01 | C03 | C08 | H11 | 161.8° | 55.0° |
| C01 | C03 | C08 | H12 | 78.4° | 65.0° |
| O04 | C03 | C01 | C02 | 57.7° | 57.6° |
| C03 | O04 | C06 | C05 | 66.8° | 61.2° |
| O04 | C03 | C08 | O09 | 78.3° | 65.1° |
| O04 | C03 | C01 | H5 | 62.9° | 62.3° |
| C03 | O04 | C06 | H9 | 136.1° | 178.8° |
| O04 | C03 | C08 | H11 | 41.7° | 174.9° |
| O04 | C03 | C08 | H12 | 161.6° | 54.9° |
| C03 | O04 | C06 | OXT | 43.1° | 58.8° |
| C01 | C02 | O22 | C05 | 123.1° | 119.5° |
| C01 | C02 | O22 | H6 | 118.2° | 120.2° |
| C01 | C02 | C05 | H6 | 116.8° | 119.9° |
| C01 | C02 | C05 | C06 | 51.6° | 57.0° |
| C01 | C02 | C05 | N12 | 64.2° | 62.9° |
| C02 | C01 | C03 | H7 | 64.7° | 62.4° |
| C01 | C02 | C05 | H8 | 171.9° | 177.0° |
| C01 | C02 | O22 | H18 | 6.3° | 180.0° |
| O22 | C02 | C05 | H6 | 119.7° | 120.3° |
| O22 | C02 | C05 | C06 | 175.1° | 176.8° |
| O22 | C02 | C05 | N12 | 59.3° | 56.9° |
| O22 | C02 | C01 | H5 | 54.2° | 57.0° |
| O22 | C02 | C05 | H8 | 64.6° | 63.2° |
| C02 | C05 | C06 | O04 | 58.4° | 57.6° |
| C02 | C05 | C06 | N12 | 120.7° | 119.9° |
| C02 | C05 | C06 | H8 | 120.1° | 119.9° |
| C02 | C05 | N12 | H8 | 123.1° | 120.1° |
| C02 | C05 | N12 | C13 | 163.5° | 155.0° |
| C02 | C05 | N12 | H1 | 16.5° | 24.8° |
| C05 | C02 | C01 | H5 | 69.9° | 62.9° |
| C02 | C05 | C06 | H9 | 143.8° | 177.6° |
| C05 | C02 | O22 | H18 | 129.4° | 60.4° |
| C02 | C05 | C06 | OXT | 41.7° | 62.4° |
| O04 | C06 | C05 | H9 | 157.9° | 120.0° |
| O04 | C06 | C05 | OXT | 100.1° | 120.0° |
| O04 | C06 | C05 | N12 | 62.3° | 62.3° |
| C06 | O04 | C03 | H7 | 54.7° | 58.8° |
| O04 | C06 | C05 | H8 | 178.5° | 177.6° |
| O04 | C06 | H9 | OXT | 94.4° | 120.0° |
| O04 | C06 | OXT | H10 | 90.0° | 60.0° |
| C06 | C05 | N12 | H8 | 118.5° | 120.2° |
| C06 | C05 | N12 | C13 | 78.2° | 85.3° |
| C06 | C05 | N12 | H1 | 101.9° | 94.9° |
| C06 | C05 | C02 | H6 | 65.2° | 62.9° |
| C05 | C06 | H9 | OXT | 111.2° | 120.0° |
| C05 | C06 | OXT | H10 | 90.0° | 180.0° |
| C08 | O09 | P16 | O47 | 59.1° | 55.0° |
| C08 | O09 | P16 | O18 | 62.8° | 175.0° |
| C08 | O09 | P16 | O17 | 178.2° | 65.0° |
| O09 | C08 | C03 | H7 | 160.0° | 55.0° |
| O09 | C08 | H11 | H12 | 119.8° | 120.0° |
| O25 | C23 | C24 | H2 | 0.0° | 89.9° |
| O25 | C23 | C24 | H3 | 120.0° | 150.0° |
| O25 | C23 | C24 | H4 | 120.0° | 30.0° |
| C05 | N12 | C13 | H1 | 180.0° | 179.7° |
| C05 | N12 | C13 | O15 | 1.1° | 0.3° |
| C05 | N12 | C13 | C14 | 179.4° | 179.8° |
| N12 | C05 | C02 | H6 | 179.0° | 177.2° |
| N12 | C05 | C06 | H9 | 95.6° | 57.7° |
| N12 | C05 | C06 | OXT | 162.4° | 177.7° |
| O47 | P16 | O09 | O18 | 122.0° | 120.0° |
| O47 | P16 | O09 | O17 | 122.6° | 120.0° |
| O47 | P16 | O18 | O17 | 121.2° | 120.0° |
| O47 | P16 | O17 | H16 | 0.0° | 180.0° |
| O47 | P16 | O18 | H17 | 0.0° | 60.0° |
| O09 | P16 | O18 | O17 | 115.4° | 120.0° |
| P16 | O09 | C08 | H11 | 42.2° | 60.0° |
| P16 | O09 | C08 | H12 | 77.7° | 60.0° |
| O09 | P16 | O17 | H16 | 121.2° | 60.0° |
| O09 | P16 | O18 | H17 | 123.3° | 180.0° |
| N12 | C13 | O15 | C14 | 179.5° | 179.9° |
| C13 | N12 | C05 | H8 | 40.3° | 34.9° |
| N12 | C13 | C14 | H13 | 179.5° | 0.1° |
| N12 | C13 | C14 | H14 | 60.5° | 120.0° |
| N12 | C13 | C14 | H15 | 59.5° | 120.0° |
| O18 | P16 | O17 | H16 | 118.0° | 60.0° |
| O17 | P16 | O18 | H17 | 121.3° | 60.0° |
| O15 | C13 | N12 | H1 | 178.9° | 179.9° |
| O15 | C13 | C14 | H13 | 0.0° | 180.0° |
| O15 | C13 | C14 | H14 | 120.0° | 60.1° |
| O15 | C13 | C14 | H15 | 120.0° | 59.9° |
| C14 | C13 | N12 | H1 | 0.6° | 0.0° |
| C13 | C14 | H13 | H14 | 120.0° | 119.9° |
| C13 | C14 | H13 | H15 | 120.0° | 120.1° |
| C13 | C14 | H14 | H15 | 120.0° | 120.0° |
| H1 | N12 | C05 | H8 | 139.6° | 144.9° |
| H2 | C24 | H3 | H4 | 120.0° | 120.0° |
| H5 | C01 | C02 | H6 | 173.4° | 177.2° |
| H5 | C01 | C03 | H7 | 174.7° | 177.7° |
| H6 | C02 | C05 | H8 | 55.1° | 57.1° |
| H6 | C02 | O22 | H18 | 111.9° | 59.9° |
| H7 | C03 | C08 | H11 | 79.9° | 65.0° |
| H7 | C03 | C08 | H12 | 40.0° | 175.0° |
| H8 | C05 | C06 | H9 | 23.6° | 62.5° |
| H8 | C05 | C06 | OXT | 78.4° | 57.5° |
| H9 | C06 | OXT | H10 | 90.0° | 60.0° |
| H13 | C14 | H14 | H15 | 119.9° | 120.0° |
