OAB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | P11 | doub | 1.48Å | 1.47Å | |
| O19 | P11 | sing | 1.61Å | 1.46Å | |
| P11 | O10 | sing | 1.61Å | 1.64Å | |
| P11 | O20 | sing | 1.61Å | 1.64Å | |
| O20 | C26 | sing | 1.43Å | 1.39Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| O35 | C28 | sing | 1.43Å | 1.41Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | O30 | sing | 1.43Å | 1.40Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| O30 | C32 | sing | 1.43Å | 1.40Å | |
| C29 | O36 | sing | 1.45Å | 1.39Å | |
| C29 | C31 | sing | 1.53Å | 1.54Å | |
| O36 | C40 | sing | 1.34Å | 1.39Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| O41 | C40 | doub | 1.21Å | 1.18Å | |
| C40 | C42 | sing | 1.51Å | 1.54Å | |
| C31 | N34 | sing | 1.47Å | 1.45Å | |
| N34 | C37 | sing | 1.35Å | 1.46Å | |
| C37 | C39 | sing | 1.51Å | 1.53Å | |
| C37 | O38 | doub | 1.21Å | 1.20Å | |
| O10 | H1 | sing | 0.97Å | 0.95Å | |
| C26 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C29 | H6 | sing | 1.09Å | 1.10Å | |
| C31 | H7 | sing | 1.09Å | 1.10Å | |
| C32 | H8 | sing | 1.09Å | 1.10Å | |
| C39 | H10 | sing | 1.09Å | 1.10Å | |
| C39 | H11 | sing | 1.09Å | 1.10Å | |
| C39 | H12 | sing | 1.09Å | 1.10Å | |
| C42 | H13 | sing | 1.09Å | 1.10Å | |
| C42 | H14 | sing | 1.09Å | 1.10Å | |
| C42 | H15 | sing | 1.09Å | 1.10Å | |
| N34 | H16 | sing | 0.97Å | 1.00Å | |
| O19 | H17 | sing | 0.97Å | 0.95Å | |
| O35 | H18 | sing | 0.97Å | 0.95Å | |
| C32 | OXT | sing | 1.43Å | 80.28Å | |
| OXT | H9 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | P11 | O19 | 105.0° | 109.5° |
| O21 | P11 | O10 | 108.1° | 109.4° |
| O21 | P11 | O20 | 109.4° | 109.5° |
| O19 | P11 | O10 | 114.2° | 109.5° |
| O19 | P11 | O20 | 108.1° | 109.5° |
| P11 | O19 | H17 | 109.5° | 114.0° |
| O10 | P11 | O20 | 111.8° | 109.5° |
| P11 | O10 | H1 | 109.5° | 114.0° |
| P11 | O20 | C26 | 118.1° | 123.0° |
| O20 | C26 | C27 | 104.1° | 109.5° |
| O20 | C26 | H2 | 110.8° | 109.5° |
| O20 | C26 | H3 | 110.8° | 109.5° |
| C26 | C27 | C28 | 111.0° | 109.6° |
| C26 | C27 | O30 | 108.5° | 109.5° |
| C27 | C26 | H2 | 110.8° | 109.5° |
| C27 | C26 | H3 | 110.8° | 109.5° |
| C26 | C27 | H5 | 108.3° | 109.5° |
| O35 | C28 | C27 | 108.7° | 109.5° |
| O35 | C28 | C29 | 108.9° | 109.6° |
| O35 | C28 | H4 | 111.6° | 109.5° |
| C28 | O35 | H18 | 109.5° | 114.0° |
| C28 | C27 | O30 | 110.6° | 109.4° |
| C27 | C28 | C29 | 107.6° | 109.2° |
| C27 | C28 | H4 | 110.0° | 109.5° |
| C28 | C27 | H5 | 108.4° | 109.5° |
| C27 | O30 | C32 | 109.6° | 114.2° |
| O30 | C27 | H5 | 110.0° | 109.4° |
| C28 | C29 | O36 | 106.7° | 109.5° |
| C28 | C29 | C31 | 113.2° | 109.0° |
| C29 | C28 | H4 | 109.9° | 109.6° |
| C28 | C29 | H6 | 108.5° | 109.5° |
| O30 | C32 | C31 | 105.1° | 109.4° |
| O30 | C32 | H8 | 121.7° | 109.5° |
| O30 | C32 | OXT | 31.3° | 109.5° |
| O36 | C29 | C31 | 109.9° | 109.6° |
| C29 | O36 | C40 | 113.9° | 117.0° |
| O36 | C29 | H6 | 110.3° | 109.6° |
| C29 | C31 | C32 | 108.7° | 109.2° |
| C29 | C31 | N34 | 108.2° | 109.5° |
| C31 | C29 | H6 | 108.3° | 109.6° |
| C29 | C31 | H7 | 109.2° | 109.5° |
| O36 | C40 | O41 | 116.7° | 120.0° |
| O36 | C40 | C42 | 122.6° | 120.0° |
| C32 | C31 | N34 | 110.8° | 109.5° |
| C32 | C31 | H7 | 109.4° | 109.6° |
| C31 | C32 | H8 | 118.7° | 109.5° |
| C31 | C32 | OXT | 123.6° | 109.5° |
| O41 | C40 | C42 | 120.7° | 120.0° |
| C40 | C42 | H13 | 109.5° | 109.4° |
| C40 | C42 | H14 | 109.5° | 109.5° |
| C40 | C42 | H15 | 109.4° | 109.4° |
| C31 | N34 | C37 | 122.7° | 120.0° |
| N34 | C31 | H7 | 110.4° | 109.5° |
| C31 | N34 | H16 | 118.7° | 120.0° |
| N34 | C37 | C39 | 118.8° | 120.0° |
| N34 | C37 | O38 | 121.7° | 120.0° |
| C37 | N34 | H16 | 118.6° | 120.0° |
| C39 | C37 | O38 | 119.5° | 120.1° |
| C37 | C39 | H10 | 109.5° | 109.5° |
| C37 | C39 | H11 | 109.5° | 109.5° |
| C37 | C39 | H12 | 109.5° | 109.4° |
| H2 | C26 | H3 | 109.5° | 109.4° |
| H8 | C32 | OXT | 90.5° | 109.5° |
| H10 | C39 | H11 | 109.5° | 109.5° |
| H10 | C39 | H12 | 109.5° | 109.5° |
| H11 | C39 | H12 | 109.5° | 109.5° |
| H13 | C42 | H14 | 109.4° | 109.5° |
| H13 | C42 | H15 | 109.5° | 109.5° |
| H14 | C42 | H15 | 109.5° | 109.4° |
| C32 | OXT | H9 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | P11 | O19 | O10 | 118.2° | 120.0° |
| O21 | P11 | O19 | O20 | 116.7° | 120.0° |
| O21 | P11 | O10 | O20 | 120.5° | 120.0° |
| O21 | P11 | O20 | C26 | 40.9° | 55.1° |
| O21 | P11 | O10 | H1 | 0.0° | 60.1° |
| O21 | P11 | O19 | H17 | 0.0° | 180.0° |
| O19 | P11 | O10 | O20 | 123.1° | 120.0° |
| O19 | P11 | O20 | C26 | 154.7° | 65.0° |
| O19 | P11 | O10 | H1 | 116.4° | 59.9° |
| O10 | P11 | O20 | C26 | 78.8° | 175.0° |
| O10 | P11 | O19 | H17 | 118.2° | 60.0° |
| P11 | O20 | C26 | C27 | 158.4° | 180.0° |
| O20 | P11 | O10 | H1 | 120.5° | 179.9° |
| P11 | O20 | C26 | H2 | 39.3° | 60.0° |
| P11 | O20 | C26 | H3 | 82.4° | 60.0° |
| O20 | P11 | O19 | H17 | 116.8° | 60.0° |
| O20 | C26 | C27 | H2 | 119.2° | 120.0° |
| O20 | C26 | C27 | H3 | 119.1° | 120.0° |
| O20 | C26 | C27 | C28 | 178.9° | 175.0° |
| O20 | C26 | C27 | O30 | 57.2° | 65.1° |
| O20 | C26 | H2 | H3 | 122.5° | 120.0° |
| O20 | C26 | C27 | H5 | 62.2° | 54.9° |
| C26 | C27 | C28 | O35 | 67.2° | 62.4° |
| C26 | C27 | C28 | O30 | 120.5° | 120.0° |
| C26 | C27 | C28 | H5 | 118.8° | 120.1° |
| C26 | C27 | O30 | H5 | 118.4° | 120.0° |
| C26 | C27 | C28 | C29 | 174.9° | 177.6° |
| C26 | C27 | O30 | C32 | 165.9° | 178.8° |
| C27 | C26 | H2 | H3 | 122.5° | 119.9° |
| C26 | C27 | C28 | H4 | 55.2° | 57.6° |
| O35 | C28 | C27 | C29 | 117.8° | 120.0° |
| O35 | C28 | C27 | H4 | 122.5° | 120.0° |
| O35 | C28 | C27 | O30 | 172.3° | 177.5° |
| O35 | C28 | C29 | H4 | 122.6° | 120.1° |
| O35 | C28 | C29 | O36 | 76.0° | 63.2° |
| O35 | C28 | C29 | C31 | 163.1° | 176.9° |
| O35 | C28 | C27 | H5 | 51.6° | 57.7° |
| O35 | C28 | C29 | H6 | 42.8° | 57.0° |
| C28 | C27 | O30 | H5 | 119.7° | 119.9° |
| C27 | C28 | C29 | H4 | 119.7° | 119.9° |
| C28 | C27 | O30 | C32 | 72.2° | 61.1° |
| C27 | C28 | C29 | O36 | 166.3° | 176.9° |
| C27 | C28 | C29 | C31 | 45.4° | 57.0° |
| C28 | C27 | C26 | H2 | 59.8° | 55.0° |
| C28 | C27 | C26 | H3 | 62.0° | 64.9° |
| C27 | C28 | C29 | H6 | 74.9° | 63.0° |
| C27 | C28 | O35 | H18 | 180.0° | 60.2° |
| O30 | C27 | C28 | C29 | 54.4° | 57.6° |
| C27 | O30 | C32 | C31 | 73.5° | 61.2° |
| O30 | C27 | C26 | H2 | 62.0° | 174.9° |
| O30 | C27 | C26 | H3 | 176.3° | 55.0° |
| O30 | C27 | C28 | H4 | 65.3° | 62.4° |
| C27 | O30 | C32 | H8 | 65.1° | 178.8° |
| C27 | O30 | C32 | OXT | 57.6° | 58.8° |
| C28 | C29 | O36 | C31 | 123.0° | 119.6° |
| C28 | C29 | O36 | H6 | 117.6° | 120.1° |
| C28 | C29 | C31 | H6 | 120.3° | 119.8° |
| C28 | C29 | O36 | C40 | 136.7° | 90.0° |
| C28 | C29 | C31 | C32 | 50.2° | 57.0° |
| C28 | C29 | C31 | N34 | 70.2° | 63.0° |
| C29 | C28 | C27 | H5 | 66.3° | 62.3° |
| C28 | C29 | C31 | H7 | 169.5° | 177.0° |
| C29 | C28 | O35 | H18 | 63.0° | 180.0° |
| O30 | C32 | C31 | C29 | 61.0° | 57.6° |
| O30 | C32 | C31 | H8 | 140.2° | 120.0° |
| O30 | C32 | C31 | OXT | 28.0° | 119.9° |
| O30 | C32 | C31 | N34 | 57.8° | 62.3° |
| C32 | O30 | C27 | H5 | 47.5° | 58.8° |
| O30 | C32 | C31 | H7 | 179.8° | 177.5° |
| O30 | C32 | H8 | OXT | 3.9° | 120.0° |
| O30 | C32 | OXT | H9 | 90.0° | 60.1° |
| O36 | C29 | C31 | H6 | 120.6° | 120.3° |
| O36 | C29 | C31 | C32 | 169.3° | 176.8° |
| C29 | O36 | C40 | O41 | 159.8° | 0.0° |
| C29 | O36 | C40 | C42 | 20.8° | 180.0° |
| O36 | C29 | C31 | N34 | 48.8° | 56.9° |
| O36 | C29 | C28 | H4 | 46.6° | 56.9° |
| O36 | C29 | C31 | H7 | 71.4° | 63.1° |
| C31 | C29 | O36 | C40 | 100.2° | 150.5° |
| C29 | C31 | C32 | N34 | 118.8° | 119.9° |
| C29 | C31 | C32 | H7 | 119.2° | 119.9° |
| C29 | C31 | N34 | H7 | 119.5° | 120.0° |
| C29 | C31 | N34 | C37 | 82.1° | 155.0° |
| C31 | C29 | C28 | H4 | 74.3° | 63.0° |
| C29 | C31 | C32 | H8 | 79.1° | 177.6° |
| C29 | C31 | N34 | H16 | 97.9° | 25.0° |
| C29 | C31 | C32 | OXT | 33.0° | 62.3° |
| O36 | C40 | O41 | C42 | 179.4° | 180.0° |
| C40 | O36 | C29 | H6 | 19.1° | 30.1° |
| O36 | C40 | C42 | H13 | 179.4° | 90.0° |
| O36 | C40 | C42 | H14 | 60.6° | 150.0° |
| O36 | C40 | C42 | H15 | 59.4° | 30.0° |
| C32 | C31 | N34 | H7 | 121.4° | 120.2° |
| C32 | C31 | N34 | C37 | 158.8° | 85.3° |
| C32 | C31 | C29 | H6 | 70.2° | 62.9° |
| C31 | C32 | H8 | OXT | 129.5° | 120.1° |
| C32 | C31 | N34 | H16 | 21.2° | 94.7° |
| C31 | C32 | OXT | H9 | 90.0° | 180.0° |
| O41 | C40 | C42 | H13 | 0.0° | 90.0° |
| O41 | C40 | C42 | H14 | 120.0° | 30.0° |
| O41 | C40 | C42 | H15 | 120.0° | 150.0° |
| C40 | C42 | H13 | H14 | 120.0° | 120.0° |
| C40 | C42 | H13 | H15 | 120.0° | 120.0° |
| C40 | C42 | H14 | H15 | 120.0° | 120.0° |
| C31 | N34 | C37 | H16 | 180.0° | 180.0° |
| C31 | N34 | C37 | C39 | 179.1° | 180.0° |
| C31 | N34 | C37 | O38 | 0.7° | 0.0° |
| N34 | C31 | C29 | H6 | 169.4° | 177.2° |
| N34 | C31 | C32 | H8 | 162.1° | 57.7° |
| N34 | C31 | C32 | OXT | 85.8° | 177.7° |
| N34 | C37 | C39 | O38 | 179.8° | 180.0° |
| C37 | N34 | C31 | H7 | 37.4° | 34.9° |
| N34 | C37 | C39 | H10 | 179.8° | 90.0° |
| N34 | C37 | C39 | H11 | 60.2° | 30.0° |
| N34 | C37 | C39 | H12 | 59.8° | 150.0° |
| C37 | C39 | H10 | H11 | 120.0° | 120.0° |
| C37 | C39 | H10 | H12 | 120.0° | 119.9° |
| C37 | C39 | H11 | H12 | 120.0° | 119.9° |
| C39 | C37 | N34 | H16 | 0.9° | 0.0° |
| O38 | C37 | C39 | H10 | 0.0° | 90.0° |
| O38 | C37 | C39 | H11 | 120.0° | 149.9° |
| O38 | C37 | C39 | H12 | 120.0° | 30.0° |
| O38 | C37 | N34 | H16 | 179.3° | 180.0° |
| H2 | C26 | C27 | H5 | 178.6° | 65.1° |
| H3 | C26 | C27 | H5 | 56.9° | 175.0° |
| H4 | C28 | C27 | H5 | 174.1° | 177.7° |
| H4 | C28 | C29 | H6 | 165.4° | 177.1° |
| H4 | C28 | O35 | H18 | 58.5° | 59.8° |
| H6 | C29 | C31 | H7 | 49.2° | 57.1° |
| H7 | C31 | C32 | H8 | 40.1° | 62.5° |
| H7 | C31 | N34 | H16 | 142.7° | 145.1° |
| H7 | C31 | C32 | OXT | 152.2° | 57.6° |
| H8 | C32 | OXT | H9 | 90.0° | 59.9° |
| H10 | C39 | H11 | H12 | 120.0° | 120.0° |
| H13 | C42 | H14 | H15 | 120.0° | 120.1° |
