2KM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | P5 | doub | 1.48Å | 1.51Å | |
| O35 | P5 | sing | 1.61Å | 1.51Å | |
| P5 | O25 | sing | 1.61Å | 1.51Å | |
| P5 | O5 | sing | 1.61Å | 1.61Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C1 | sing | 1.53Å | 1.52Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| O32 | P2 | doub | 1.48Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| O2 | P2 | sing | 1.61Å | 1.61Å | |
| P2 | O22 | sing | 1.61Å | 1.51Å | |
| P2 | O12 | sing | 1.61Å | 1.52Å | |
| O3 | P3 | sing | 1.61Å | 1.62Å | |
| O33 | P3 | doub | 1.48Å | 1.51Å | |
| O23 | P3 | sing | 1.61Å | 1.51Å | |
| P3 | O13 | sing | 1.61Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å | |
| O23 | H8 | sing | 0.97Å | 0.95Å | |
| O22 | H9 | sing | 0.97Å | 0.95Å | |
| O6 | H10 | sing | 0.97Å | 0.95Å | |
| O35 | H11 | sing | 0.97Å | 0.95Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| O25 | H14 | sing | 0.97Å | 0.95Å | |
| O4 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | P5 | O35 | 112.3° | 109.5° |
| O15 | P5 | O25 | 112.5° | 109.5° |
| O15 | P5 | O5 | 101.4° | 109.5° |
| O35 | P5 | O25 | 113.4° | 109.5° |
| O35 | P5 | O5 | 113.9° | 109.5° |
| P5 | O35 | H11 | 109.5° | 114.0° |
| O25 | P5 | O5 | 102.4° | 109.4° |
| P5 | O25 | H14 | 109.5° | 114.0° |
| P5 | O5 | C5 | 126.5° | 123.0° |
| O6 | C6 | C5 | 111.0° | 109.5° |
| O6 | C6 | C1 | 110.4° | 109.5° |
| O6 | C6 | H6 | 109.0° | 109.4° |
| C6 | O6 | H10 | 109.5° | 114.0° |
| C5 | C6 | C1 | 110.9° | 109.5° |
| C6 | C5 | O5 | 108.0° | 109.5° |
| C6 | C5 | C4 | 112.8° | 109.4° |
| C6 | C5 | H5 | 109.0° | 109.5° |
| C5 | C6 | H6 | 107.6° | 109.5° |
| C6 | C1 | O1 | 111.5° | 109.5° |
| C6 | C1 | C2 | 108.2° | 109.5° |
| C6 | C1 | H1 | 109.0° | 109.5° |
| C1 | C6 | H6 | 107.8° | 109.5° |
| O5 | C5 | C4 | 107.6° | 109.5° |
| O5 | C5 | H5 | 110.2° | 109.5° |
| O1 | C1 | C2 | 108.6° | 109.5° |
| O1 | C1 | H1 | 110.2° | 109.4° |
| C1 | O1 | H7 | 109.5° | 114.0° |
| C5 | C4 | O4 | 111.7° | 109.5° |
| C5 | C4 | C3 | 108.8° | 109.5° |
| C5 | C4 | H4 | 109.1° | 109.5° |
| C4 | C5 | H5 | 109.1° | 109.4° |
| C1 | C2 | C3 | 110.7° | 109.5° |
| C1 | C2 | O2 | 108.4° | 109.5° |
| C2 | C1 | H1 | 109.2° | 109.4° |
| C1 | C2 | H2 | 109.7° | 109.5° |
| O4 | C4 | C3 | 107.5° | 109.5° |
| O4 | C4 | H4 | 110.5° | 109.4° |
| C4 | O4 | H15 | 109.5° | 114.0° |
| C4 | C3 | C2 | 110.4° | 109.5° |
| C4 | C3 | O3 | 107.9° | 109.5° |
| C4 | C3 | H3 | 109.6° | 109.4° |
| C3 | C4 | H4 | 109.2° | 109.5° |
| O32 | P2 | O2 | 100.7° | 109.5° |
| O32 | P2 | O22 | 115.4° | 109.5° |
| O32 | P2 | O12 | 112.3° | 109.5° |
| C3 | C2 | O2 | 107.3° | 109.4° |
| C2 | C3 | O3 | 108.5° | 109.5° |
| C3 | C2 | H2 | 109.8° | 109.5° |
| C2 | C3 | H3 | 109.7° | 109.5° |
| C2 | O2 | P2 | 119.8° | 123.0° |
| O2 | C2 | H2 | 110.9° | 109.4° |
| C3 | O3 | P3 | 125.4° | 123.0° |
| O3 | C3 | H3 | 110.7° | 109.5° |
| O2 | P2 | O22 | 109.2° | 109.5° |
| O2 | P2 | O12 | 104.8° | 109.5° |
| O22 | P2 | O12 | 113.0° | 109.5° |
| P2 | O22 | H9 | 109.5° | 114.0° |
| P2 | O12 | H12 | 109.5° | 114.0° |
| O3 | P3 | O33 | 98.9° | 109.5° |
| O3 | P3 | O23 | 105.4° | 109.5° |
| O3 | P3 | O13 | 108.9° | 109.5° |
| O33 | P3 | O23 | 113.6° | 109.4° |
| O33 | P3 | O13 | 114.9° | 109.5° |
| O23 | P3 | O13 | 113.6° | 109.5° |
| P3 | O23 | H8 | 109.5° | 113.9° |
| P3 | O13 | H13 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | P5 | O35 | O25 | 128.9° | 120.0° |
| O15 | P5 | O35 | O5 | 114.5° | 120.0° |
| O15 | P5 | O25 | O5 | 108.0° | 120.0° |
| O15 | P5 | O5 | C5 | 39.8° | 54.9° |
| O15 | P5 | O35 | H11 | 0.0° | 60.0° |
| O15 | P5 | O25 | H14 | 0.0° | 180.0° |
| O35 | P5 | O25 | O5 | 123.2° | 120.0° |
| O35 | P5 | O5 | C5 | 160.7° | 175.0° |
| O35 | P5 | O25 | H14 | 128.7° | 60.0° |
| O25 | P5 | O5 | C5 | 76.5° | 65.1° |
| O25 | P5 | O35 | H11 | 128.9° | 60.0° |
| P5 | O5 | C5 | C6 | 78.3° | 120.0° |
| P5 | O5 | C5 | C4 | 159.6° | 120.0° |
| P5 | O5 | C5 | H5 | 40.7° | 0.1° |
| O5 | P5 | O35 | H11 | 114.5° | 180.0° |
| O5 | P5 | O25 | H14 | 108.0° | 60.0° |
| O6 | C6 | C5 | C1 | 123.1° | 120.0° |
| O6 | C6 | C5 | H6 | 119.2° | 120.0° |
| O6 | C6 | C1 | H6 | 118.9° | 120.0° |
| O6 | C6 | C5 | O5 | 50.6° | 60.0° |
| O6 | C6 | C1 | O1 | 173.7° | 180.0° |
| O6 | C6 | C5 | C4 | 68.2° | 60.0° |
| O6 | C6 | C1 | C2 | 66.9° | 60.0° |
| O6 | C6 | C1 | H1 | 51.7° | 60.0° |
| O6 | C6 | C5 | H5 | 170.4° | 180.0° |
| C5 | C6 | C1 | H6 | 117.6° | 120.0° |
| C6 | C5 | O5 | C4 | 122.1° | 120.0° |
| C6 | C5 | O5 | H5 | 119.0° | 120.1° |
| C5 | C6 | C1 | O1 | 62.9° | 60.0° |
| C6 | C5 | C4 | H5 | 121.3° | 120.0° |
| C5 | C6 | C1 | C2 | 56.6° | 60.0° |
| C6 | C5 | C4 | O4 | 172.5° | 180.0° |
| C6 | C5 | C4 | C3 | 54.1° | 60.0° |
| C5 | C6 | C1 | H1 | 175.2° | 180.0° |
| C6 | C5 | C4 | H4 | 65.0° | 60.0° |
| C5 | C6 | O6 | H10 | 180.0° | 180.0° |
| C1 | C6 | C5 | O5 | 173.8° | 180.0° |
| C6 | C1 | O1 | C2 | 119.2° | 120.0° |
| C6 | C1 | O1 | H1 | 121.2° | 120.0° |
| C1 | C6 | C5 | C4 | 54.9° | 60.0° |
| C6 | C1 | C2 | H1 | 118.5° | 120.0° |
| C6 | C1 | C2 | C3 | 61.1° | 60.0° |
| C6 | C1 | C2 | O2 | 178.5° | 180.0° |
| C6 | C1 | C2 | H2 | 60.2° | 60.0° |
| C1 | C6 | C5 | H5 | 66.4° | 59.9° |
| C6 | C1 | O1 | H7 | 180.0° | 60.0° |
| C1 | C6 | O6 | H10 | 56.6° | 60.0° |
| O5 | C5 | C4 | H5 | 119.6° | 120.0° |
| O5 | C5 | C4 | O4 | 68.4° | 59.9° |
| O5 | C5 | C4 | C3 | 173.1° | 180.0° |
| O5 | C5 | C4 | H4 | 54.1° | 60.0° |
| O5 | C5 | C6 | H6 | 68.5° | 60.0° |
| O1 | C1 | C2 | H1 | 120.2° | 119.9° |
| O1 | C1 | C2 | C3 | 60.2° | 60.0° |
| O1 | C1 | C2 | O2 | 57.2° | 60.0° |
| O1 | C1 | C2 | H2 | 178.5° | 180.0° |
| O1 | C1 | C6 | H6 | 54.7° | 60.0° |
| C5 | C4 | O4 | C3 | 119.2° | 120.0° |
| C5 | C4 | O4 | H4 | 121.7° | 120.0° |
| C5 | C4 | C3 | H4 | 119.0° | 120.0° |
| C5 | C4 | C3 | C2 | 57.3° | 60.0° |
| C5 | C4 | C3 | O3 | 175.7° | 180.0° |
| C5 | C4 | C3 | H3 | 63.7° | 60.0° |
| C4 | C5 | C6 | H6 | 172.6° | 180.0° |
| C5 | C4 | O4 | H15 | 140.0° | 60.0° |
| C1 | C2 | C3 | C4 | 62.8° | 60.0° |
| C1 | C2 | C3 | O2 | 118.1° | 120.0° |
| C1 | C2 | C3 | H2 | 121.3° | 120.0° |
| C1 | C2 | O2 | H2 | 120.5° | 120.0° |
| C1 | C2 | C3 | O3 | 179.1° | 180.0° |
| C1 | C2 | O2 | P2 | 104.8° | 120.0° |
| C1 | C2 | C3 | H3 | 58.1° | 60.0° |
| C2 | C1 | C6 | H6 | 174.2° | 180.0° |
| C2 | C1 | O1 | H7 | 60.8° | 180.0° |
| O4 | C4 | C3 | H4 | 119.9° | 120.0° |
| O4 | C4 | C3 | C2 | 178.4° | 180.0° |
| O4 | C4 | C3 | O3 | 63.2° | 60.0° |
| O4 | C4 | C3 | H3 | 57.4° | 60.0° |
| O4 | C4 | C5 | H5 | 51.2° | 60.0° |
| C4 | C3 | C2 | O3 | 118.1° | 120.0° |
| C4 | C3 | C2 | H3 | 120.9° | 120.0° |
| C4 | C3 | C2 | O2 | 179.1° | 180.0° |
| C4 | C3 | O3 | H3 | 119.9° | 120.0° |
| C4 | C3 | O3 | P3 | 93.8° | 120.0° |
| C4 | C3 | C2 | H2 | 58.5° | 60.0° |
| C3 | C4 | C5 | H5 | 67.2° | 60.0° |
| C3 | C4 | O4 | H15 | 20.7° | 180.0° |
| O32 | P2 | O2 | C2 | 65.0° | 55.0° |
| O32 | P2 | O2 | O22 | 121.9° | 120.0° |
| O32 | P2 | O2 | O12 | 116.7° | 120.0° |
| O32 | P2 | O22 | O12 | 131.2° | 120.0° |
| O32 | P2 | O22 | H9 | 0.0° | 60.0° |
| O32 | P2 | O12 | H12 | 0.0° | 179.9° |
| C3 | C2 | O2 | H2 | 119.9° | 120.0° |
| C2 | C3 | O3 | H3 | 120.4° | 120.0° |
| C3 | C2 | O2 | P2 | 135.6° | 120.0° |
| C2 | C3 | O3 | P3 | 146.5° | 120.0° |
| C3 | C2 | C1 | H1 | 179.6° | 179.9° |
| C2 | C3 | C4 | H4 | 61.7° | 60.0° |
| O2 | C2 | C3 | O3 | 61.0° | 60.0° |
| C2 | O2 | P2 | O22 | 173.1° | 175.0° |
| C2 | O2 | P2 | O12 | 51.8° | 65.0° |
| O2 | C2 | C1 | H1 | 63.0° | 60.0° |
| O2 | C2 | C3 | H3 | 60.0° | 60.0° |
| C3 | O3 | P3 | O33 | 47.5° | 55.0° |
| C3 | O3 | P3 | O23 | 70.1° | 65.0° |
| C3 | O3 | P3 | O13 | 167.7° | 175.0° |
| O3 | C3 | C2 | H2 | 59.6° | 59.9° |
| O3 | C3 | C4 | H4 | 56.7° | 60.0° |
| O2 | P2 | O22 | O12 | 116.2° | 120.0° |
| P2 | O2 | C2 | H2 | 15.8° | 0.0° |
| O2 | P2 | O22 | H9 | 112.5° | 180.0° |
| O2 | P2 | O12 | H12 | 108.4° | 60.1° |
| O22 | P2 | O12 | H12 | 132.8° | 59.9° |
| O12 | P2 | O22 | H9 | 131.2° | 60.0° |
| O3 | P3 | O33 | O23 | 111.2° | 120.0° |
| O3 | P3 | O33 | O13 | 115.7° | 120.0° |
| O3 | P3 | O23 | O13 | 119.1° | 120.0° |
| P3 | O3 | C3 | H3 | 26.1° | 0.0° |
| O3 | P3 | O23 | H8 | 107.2° | 60.1° |
| O3 | P3 | O13 | H13 | 109.8° | 179.9° |
| O33 | P3 | O23 | O13 | 133.7° | 120.0° |
| O33 | P3 | O23 | H8 | 0.0° | 179.9° |
| O33 | P3 | O13 | H13 | 0.0° | 59.9° |
| O23 | P3 | O13 | H13 | 133.1° | 60.0° |
| O13 | P3 | O23 | H8 | 133.7° | 60.0° |
| H1 | C1 | C2 | H2 | 58.3° | 60.1° |
| H1 | C1 | C6 | H6 | 67.2° | 60.0° |
| H1 | C1 | O1 | H7 | 58.8° | 60.1° |
| H2 | C2 | C3 | H3 | 179.5° | 180.0° |
| H3 | C3 | C4 | H4 | 177.3° | 180.0° |
| H4 | C4 | C5 | H5 | 173.7° | 180.0° |
| H4 | C4 | O4 | H15 | 98.4° | 60.0° |
| H5 | C5 | C6 | H6 | 51.3° | 60.1° |
| H6 | C6 | O6 | H10 | 61.6° | 60.0° |
