OOW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O38 | C37 | doub | 1.21Å | 1.19Å | |
| O1 | P | doub | 1.48Å | 1.47Å | |
| C39 | C37 | sing | 1.51Å | 1.53Å | |
| C37 | N34 | sing | 1.35Å | 1.44Å | |
| P | O2 | sing | 1.61Å | 1.65Å | |
| P | O4 | sing | 1.61Å | 1.47Å | |
| P | O3 | sing | 1.61Å | 1.65Å | |
| O41 | C40 | doub | 1.21Å | 1.18Å | |
| N34 | C31 | sing | 1.46Å | 1.44Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | C29 | sing | 1.53Å | 1.53Å | |
| C42 | C40 | sing | 1.51Å | 1.53Å | |
| C40 | O36 | sing | 1.34Å | 1.38Å | |
| C32 | O3 | sing | 1.43Å | 1.40Å | |
| C32 | O30 | sing | 1.43Å | 1.41Å | |
| O36 | C29 | sing | 1.45Å | 1.39Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| O30 | C27 | sing | 1.43Å | 1.41Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | O35 | sing | 1.43Å | 1.41Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | O20 | sing | 1.43Å | 1.38Å | |
| O20 | P11 | sing | 1.61Å | 1.63Å | |
| O10 | P11 | doub | 1.48Å | 1.65Å | |
| P11 | O21 | sing | 1.61Å | 1.47Å | |
| P11 | O19 | sing | 1.61Å | 1.47Å | |
| C26 | H1 | sing | 1.09Å | 1.10Å | |
| C26 | H2 | sing | 1.09Å | 1.10Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| C29 | H5 | sing | 1.09Å | 1.10Å | |
| C31 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C39 | H8 | sing | 1.09Å | 1.10Å | |
| C39 | H9 | sing | 1.09Å | 1.10Å | |
| C39 | H10 | sing | 1.09Å | 1.10Å | |
| C42 | H11 | sing | 1.09Å | 1.10Å | |
| C42 | H12 | sing | 1.09Å | 1.10Å | |
| C42 | H13 | sing | 1.09Å | 1.10Å | |
| N34 | H14 | sing | 0.97Å | 1.00Å | |
| O19 | H15 | sing | 0.97Å | 0.95Å | |
| O21 | H16 | sing | 0.97Å | 0.95Å | |
| O35 | H17 | sing | 0.97Å | 0.95Å | |
| O2 | H18 | sing | 0.97Å | 0.95Å | |
| O4 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O38 | C37 | C39 | 121.2° | 120.0° |
| O38 | C37 | N34 | 118.8° | 120.1° |
| O1 | P | O2 | 113.3° | 109.5° |
| O1 | P | O4 | 98.9° | 109.5° |
| O1 | P | O3 | 110.8° | 109.4° |
| C39 | C37 | N34 | 120.0° | 120.0° |
| C37 | C39 | H8 | 109.5° | 109.5° |
| C37 | C39 | H9 | 109.5° | 109.5° |
| C37 | C39 | H10 | 109.4° | 109.5° |
| C37 | N34 | C31 | 115.2° | 120.0° |
| C37 | N34 | H14 | 122.4° | 120.0° |
| O2 | P | O4 | 112.0° | 109.5° |
| O2 | P | O3 | 107.6° | 109.5° |
| P | O2 | H18 | 109.5° | 114.0° |
| O4 | P | O3 | 114.2° | 109.5° |
| P | O4 | H19 | 109.5° | 114.0° |
| P | O3 | C32 | 121.8° | 123.0° |
| O41 | C40 | C42 | 122.2° | 120.0° |
| O41 | C40 | O36 | 117.6° | 120.0° |
| N34 | C31 | C32 | 109.4° | 109.5° |
| N34 | C31 | C29 | 108.2° | 109.5° |
| N34 | C31 | H6 | 110.5° | 109.6° |
| C31 | N34 | H14 | 122.4° | 120.0° |
| C32 | C31 | C29 | 110.0° | 109.1° |
| C31 | C32 | O3 | 108.3° | 109.5° |
| C31 | C32 | O30 | 108.4° | 109.4° |
| C32 | C31 | H6 | 109.5° | 109.5° |
| C31 | C32 | H7 | 107.8° | 109.5° |
| C31 | C29 | O36 | 109.5° | 109.6° |
| C31 | C29 | C28 | 107.9° | 109.1° |
| C31 | C29 | H5 | 109.8° | 109.5° |
| C29 | C31 | H6 | 109.3° | 109.6° |
| C42 | C40 | O36 | 120.2° | 120.0° |
| C40 | C42 | H11 | 109.5° | 109.5° |
| C40 | C42 | H12 | 109.4° | 109.5° |
| C40 | C42 | H13 | 109.4° | 109.4° |
| C40 | O36 | C29 | 116.2° | 117.0° |
| O3 | C32 | O30 | 113.8° | 109.5° |
| O3 | C32 | H7 | 109.2° | 109.5° |
| C32 | O30 | C27 | 115.4° | 114.1° |
| O30 | C32 | H7 | 109.2° | 109.5° |
| O36 | C29 | C28 | 107.6° | 109.5° |
| O36 | C29 | H5 | 112.0° | 109.5° |
| C29 | C28 | C27 | 107.0° | 109.1° |
| C29 | C28 | O35 | 112.1° | 109.6° |
| C29 | C28 | H3 | 108.8° | 109.5° |
| C28 | C29 | H5 | 110.0° | 109.5° |
| O30 | C27 | C28 | 110.4° | 109.4° |
| O30 | C27 | C26 | 108.5° | 109.5° |
| O30 | C27 | H4 | 111.1° | 109.5° |
| C27 | C28 | O35 | 109.4° | 109.5° |
| C28 | C27 | C26 | 107.7° | 109.5° |
| C27 | C28 | H3 | 108.9° | 109.5° |
| C28 | C27 | H4 | 109.5° | 109.5° |
| O35 | C28 | H3 | 110.4° | 109.6° |
| C28 | O35 | H17 | 109.5° | 114.0° |
| C27 | C26 | O20 | 102.2° | 109.5° |
| C27 | C26 | H1 | 111.3° | 109.5° |
| C27 | C26 | H2 | 111.2° | 109.4° |
| C26 | C27 | H4 | 109.5° | 109.5° |
| C26 | O20 | P11 | 119.8° | 123.0° |
| O20 | C26 | H1 | 111.2° | 109.5° |
| O20 | C26 | H2 | 111.2° | 109.4° |
| O20 | P11 | O10 | 107.6° | 109.4° |
| O20 | P11 | O21 | 109.3° | 109.4° |
| O20 | P11 | O19 | 111.6° | 109.5° |
| O10 | P11 | O21 | 112.0° | 109.4° |
| O10 | P11 | O19 | 111.2° | 109.5° |
| O21 | P11 | O19 | 105.1° | 109.5° |
| P11 | O21 | H16 | 109.5° | 114.0° |
| P11 | O19 | H15 | 109.5° | 114.0° |
| H1 | C26 | H2 | 109.5° | 109.5° |
| H8 | C39 | H9 | 109.5° | 109.4° |
| H8 | C39 | H10 | 109.5° | 109.5° |
| H9 | C39 | H10 | 109.5° | 109.4° |
| H11 | C42 | H12 | 109.4° | 109.4° |
| H11 | C42 | H13 | 109.5° | 109.5° |
| H12 | C42 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O38 | C37 | C39 | N34 | 179.2° | 180.0° |
| O38 | C37 | N34 | C31 | 0.2° | 0.0° |
| O38 | C37 | C39 | H8 | 0.0° | 180.0° |
| O38 | C37 | C39 | H9 | 120.0° | 60.0° |
| O38 | C37 | C39 | H10 | 120.0° | 60.0° |
| O38 | C37 | N34 | H14 | 179.9° | 180.0° |
| O1 | P | O2 | O4 | 110.8° | 120.0° |
| O1 | P | O2 | O3 | 122.9° | 120.0° |
| O1 | P | O4 | O3 | 117.7° | 120.0° |
| O1 | P | O3 | C32 | 52.7° | 55.0° |
| O1 | P | O2 | H18 | 0.0° | 180.0° |
| O1 | P | O4 | H19 | 0.0° | 60.0° |
| C39 | C37 | N34 | C31 | 179.4° | 180.0° |
| C37 | C39 | H8 | H9 | 120.0° | 120.0° |
| C37 | C39 | H8 | H10 | 120.0° | 120.0° |
| C37 | C39 | H9 | H10 | 120.0° | 120.0° |
| C39 | C37 | N34 | H14 | 0.6° | 0.0° |
| C37 | N34 | C31 | H14 | 180.0° | 180.0° |
| C37 | N34 | C31 | C32 | 141.9° | 85.0° |
| C37 | N34 | C31 | C29 | 98.3° | 155.3° |
| C37 | N34 | C31 | H6 | 21.4° | 35.1° |
| N34 | C37 | C39 | H8 | 179.3° | 0.0° |
| N34 | C37 | C39 | H9 | 60.7° | 120.0° |
| N34 | C37 | C39 | H10 | 59.2° | 120.0° |
| O2 | P | O4 | O3 | 122.7° | 120.0° |
| O2 | P | O3 | C32 | 177.0° | 65.0° |
| O2 | P | O4 | H19 | 119.7° | 60.0° |
| O4 | P | O3 | C32 | 58.0° | 175.0° |
| O4 | P | O2 | H18 | 110.9° | 60.0° |
| P | O3 | C32 | C31 | 130.9° | 150.0° |
| P | O3 | C32 | O30 | 108.6° | 90.1° |
| P | O3 | C32 | H7 | 13.7° | 30.0° |
| O3 | P | O2 | H18 | 122.8° | 60.0° |
| O3 | P | O4 | H19 | 117.7° | 179.9° |
| O41 | C40 | C42 | O36 | 178.8° | 180.0° |
| O41 | C40 | O36 | C29 | 167.1° | 0.0° |
| O41 | C40 | C42 | H11 | 0.0° | 120.0° |
| O41 | C40 | C42 | H12 | 120.0° | 0.0° |
| O41 | C40 | C42 | H13 | 120.0° | 120.0° |
| N34 | C31 | C32 | C29 | 118.7° | 119.9° |
| N34 | C31 | C32 | H6 | 121.2° | 120.2° |
| N34 | C31 | C29 | H6 | 120.4° | 120.2° |
| N34 | C31 | C32 | O3 | 174.2° | 177.7° |
| N34 | C31 | C32 | O30 | 61.9° | 62.3° |
| N34 | C31 | C29 | O36 | 56.9° | 57.0° |
| N34 | C31 | C29 | C28 | 59.9° | 62.9° |
| N34 | C31 | C29 | H5 | 179.7° | 177.2° |
| N34 | C31 | C32 | H7 | 56.1° | 57.7° |
| C32 | C31 | C29 | H6 | 120.2° | 119.9° |
| C31 | C32 | O3 | O30 | 120.6° | 120.0° |
| C31 | C32 | O3 | H7 | 117.1° | 120.0° |
| C31 | C32 | O30 | H7 | 117.2° | 120.0° |
| C32 | C31 | C29 | O36 | 176.3° | 176.9° |
| C32 | C31 | C29 | C28 | 59.5° | 57.0° |
| C31 | C32 | O30 | C27 | 58.6° | 61.2° |
| C32 | C31 | C29 | H5 | 60.3° | 62.9° |
| C32 | C31 | N34 | H14 | 38.1° | 95.0° |
| C31 | C29 | O36 | C40 | 87.5° | 150.4° |
| C29 | C31 | C32 | O3 | 67.1° | 62.4° |
| C29 | C31 | C32 | O30 | 56.8° | 57.6° |
| C31 | C29 | O36 | C28 | 117.0° | 119.6° |
| C31 | C29 | O36 | H5 | 122.1° | 120.2° |
| C31 | C29 | C28 | H5 | 119.8° | 119.9° |
| C31 | C29 | C28 | C27 | 59.2° | 57.0° |
| C31 | C29 | C28 | O35 | 179.1° | 176.9° |
| C31 | C29 | C28 | H3 | 58.4° | 62.9° |
| C29 | C31 | C32 | H7 | 174.8° | 177.6° |
| C29 | C31 | N34 | H14 | 81.7° | 24.7° |
| C42 | C40 | O36 | C29 | 14.1° | 180.0° |
| C40 | C42 | H11 | H12 | 120.0° | 120.0° |
| C40 | C42 | H11 | H13 | 120.0° | 120.0° |
| C40 | C42 | H12 | H13 | 120.0° | 120.0° |
| C40 | O36 | C29 | C28 | 155.6° | 90.0° |
| C40 | O36 | C29 | H5 | 34.6° | 30.2° |
| O36 | C40 | C42 | H11 | 178.8° | 60.0° |
| O36 | C40 | C42 | H12 | 58.8° | 180.0° |
| O36 | C40 | C42 | H13 | 61.2° | 60.0° |
| O3 | C32 | O30 | H7 | 122.3° | 120.0° |
| O3 | C32 | O30 | C27 | 62.0° | 58.8° |
| O3 | C32 | C31 | H6 | 53.0° | 57.5° |
| C32 | O30 | C27 | C28 | 61.2° | 61.2° |
| C32 | O30 | C27 | C26 | 179.0° | 178.8° |
| C32 | O30 | C27 | H4 | 60.6° | 58.9° |
| O30 | C32 | C31 | H6 | 176.9° | 177.5° |
| O36 | C29 | C28 | H5 | 122.2° | 120.2° |
| O36 | C29 | C28 | C27 | 177.2° | 176.9° |
| O36 | C29 | C28 | O35 | 62.8° | 63.2° |
| O36 | C29 | C28 | H3 | 59.6° | 57.1° |
| O36 | C29 | C31 | H6 | 63.5° | 63.2° |
| C29 | C28 | C27 | O30 | 59.2° | 57.6° |
| C29 | C28 | C27 | O35 | 121.7° | 119.9° |
| C29 | C28 | C27 | H3 | 117.5° | 119.9° |
| C29 | C28 | O35 | H3 | 121.6° | 120.2° |
| C29 | C28 | C27 | C26 | 177.6° | 177.6° |
| C29 | C28 | C27 | H4 | 63.5° | 62.4° |
| C28 | C29 | C31 | H6 | 179.7° | 176.8° |
| C29 | C28 | O35 | H17 | 180.0° | 179.7° |
| O30 | C27 | C28 | C26 | 118.3° | 120.0° |
| O30 | C27 | C28 | H4 | 122.7° | 120.0° |
| O30 | C27 | C28 | O35 | 179.1° | 177.5° |
| O30 | C27 | C26 | H4 | 121.5° | 120.0° |
| O30 | C27 | C26 | O20 | 56.1° | 65.0° |
| O30 | C27 | C26 | H1 | 174.9° | 175.0° |
| O30 | C27 | C26 | H2 | 62.7° | 54.9° |
| O30 | C27 | C28 | H3 | 58.3° | 62.3° |
| C27 | O30 | C32 | H7 | 175.7° | 178.9° |
| C27 | C28 | O35 | H3 | 119.9° | 120.1° |
| C28 | C27 | C26 | H4 | 119.0° | 120.1° |
| C28 | C27 | C26 | O20 | 175.7° | 175.0° |
| C28 | C27 | C26 | H1 | 65.5° | 55.0° |
| C28 | C27 | C26 | H2 | 56.9° | 65.0° |
| C27 | C28 | C29 | H5 | 60.6° | 62.9° |
| C27 | C28 | O35 | H17 | 61.4° | 60.0° |
| O35 | C28 | C27 | C26 | 60.7° | 62.5° |
| O35 | C28 | C27 | H4 | 58.2° | 57.5° |
| O35 | C28 | C29 | H5 | 59.3° | 57.0° |
| C27 | C26 | O20 | H1 | 118.8° | 120.0° |
| C27 | C26 | O20 | H2 | 118.8° | 120.0° |
| C27 | C26 | O20 | P11 | 172.1° | 180.0° |
| C27 | C26 | H1 | H2 | 123.4° | 120.0° |
| C26 | C27 | C28 | H3 | 60.0° | 57.7° |
| C26 | O20 | P11 | O10 | 90.2° | 55.0° |
| C26 | O20 | P11 | O21 | 147.9° | 64.9° |
| C26 | O20 | P11 | O19 | 32.1° | 175.0° |
| O20 | C26 | H1 | H2 | 123.3° | 120.0° |
| O20 | C26 | C27 | H4 | 65.3° | 54.9° |
| O20 | P11 | O10 | O21 | 120.1° | 119.9° |
| O20 | P11 | O10 | O19 | 122.6° | 120.0° |
| O20 | P11 | O21 | O19 | 119.9° | 120.0° |
| P11 | O20 | C26 | H1 | 69.1° | 60.0° |
| P11 | O20 | C26 | H2 | 53.2° | 60.0° |
| O20 | P11 | O19 | H15 | 120.3° | 180.0° |
| O20 | P11 | O21 | H16 | 119.1° | 60.1° |
| O10 | P11 | O21 | O19 | 120.9° | 120.0° |
| O10 | P11 | O19 | H15 | 0.0° | 60.0° |
| O10 | P11 | O21 | H16 | 0.0° | 180.0° |
| O21 | P11 | O19 | H15 | 121.4° | 60.0° |
| O19 | P11 | O21 | H16 | 120.9° | 59.9° |
| H1 | C26 | C27 | H4 | 53.5° | 65.1° |
| H2 | C26 | C27 | H4 | 175.9° | 174.9° |
| H3 | C28 | C27 | H4 | 179.0° | 177.7° |
| H3 | C28 | C29 | H5 | 178.2° | 177.2° |
| H3 | C28 | O35 | H17 | 58.5° | 60.1° |
| H5 | C29 | C31 | H6 | 59.9° | 57.0° |
| H6 | C31 | C32 | H7 | 65.1° | 62.5° |
| H6 | C31 | N34 | H14 | 158.6° | 144.9° |
| H8 | C39 | H9 | H10 | 120.0° | 120.0° |
| H11 | C42 | H12 | H13 | 120.0° | 120.0° |
