A1EKM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | P03 | doub | 1.48Å | 1.50Å | |
| O09 | P03 | sing | 1.61Å | 1.50Å | |
| P03 | O14 | sing | 1.61Å | 1.50Å | |
| P03 | O07 | sing | 1.61Å | 1.64Å | |
| O07 | P02 | sing | 1.61Å | 1.64Å | |
| O12 | P01 | doub | 1.48Å | 1.51Å | |
| O11 | P02 | doub | 1.48Å | 1.50Å | |
| P02 | O06 | sing | 1.61Å | 1.64Å | |
| P02 | O13 | sing | 1.61Å | 1.50Å | |
| C10 | C06 | sing | 1.51Å | 1.52Å | |
| O06 | P01 | sing | 1.61Å | 1.65Å | |
| O10 | P01 | sing | 1.61Å | 1.50Å | |
| P01 | O05 | sing | 1.61Å | 1.64Å | |
| O04 | C09 | doub | 1.22Å | 1.18Å | |
| C06 | C09 | sing | 1.42Å | 1.52Å | |
| C06 | C07 | doub | 1.35Å | 1.34Å | |
| C09 | N02 | sing | 1.35Å | 1.41Å | |
| O05 | C05 | sing | 1.43Å | 1.40Å | |
| C07 | N01 | sing | 1.37Å | 1.48Å | |
| C05 | C01 | sing | 1.53Å | 1.48Å | |
| N02 | C08 | sing | 1.35Å | 1.42Å | |
| F01 | C03 | sing | 1.40Å | 1.40Å | |
| N01 | C08 | sing | 1.35Å | 1.44Å | |
| N01 | C04 | sing | 1.46Å | 1.41Å | |
| C02 | C01 | sing | 1.55Å | 1.48Å | |
| C02 | O02 | sing | 1.43Å | 1.44Å | |
| C02 | C03 | sing | 1.55Å | 1.45Å | |
| C08 | O03 | doub | 1.22Å | 1.18Å | |
| C01 | O01 | sing | 1.44Å | 1.48Å | |
| O01 | C04 | sing | 1.44Å | 1.48Å | |
| C03 | C04 | sing | 1.54Å | 1.48Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| N02 | H11 | sing | 0.97Å | 1.00Å | |
| O02 | H12 | sing | 0.97Å | 0.95Å | |
| O09 | H13 | sing | 0.97Å | 0.95Å | |
| O10 | H14 | sing | 0.97Å | 0.95Å | |
| O13 | H15 | sing | 0.97Å | 0.95Å | |
| O14 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | P03 | O09 | 109.1° | 109.4° |
| O08 | P03 | O14 | 109.4° | 109.5° |
| O08 | P03 | O07 | 110.0° | 109.5° |
| O09 | P03 | O14 | 110.1° | 109.5° |
| O09 | P03 | O07 | 109.6° | 109.4° |
| P03 | O09 | H13 | 109.5° | 114.0° |
| O14 | P03 | O07 | 108.6° | 109.5° |
| P03 | O14 | H16 | 109.5° | 114.0° |
| P03 | O07 | P02 | 124.3° | 134.0° |
| O07 | P02 | O11 | 109.1° | 109.5° |
| O07 | P02 | O06 | 110.7° | 109.5° |
| O07 | P02 | O13 | 110.1° | 109.5° |
| O12 | P01 | O06 | 110.0° | 109.5° |
| O12 | P01 | O10 | 109.3° | 109.5° |
| O12 | P01 | O05 | 108.5° | 109.5° |
| O11 | P02 | O06 | 109.2° | 109.5° |
| O11 | P02 | O13 | 108.7° | 109.4° |
| O06 | P02 | O13 | 108.9° | 109.5° |
| P02 | O06 | P01 | 122.1° | 134.0° |
| P02 | O13 | H15 | 109.5° | 114.0° |
| C10 | C06 | C09 | 119.6° | 120.4° |
| C10 | C06 | C07 | 120.3° | 120.4° |
| C06 | C10 | H1 | 109.5° | 109.4° |
| C06 | C10 | H2 | 109.5° | 109.5° |
| C06 | C10 | H3 | 109.5° | 109.5° |
| O06 | P01 | O10 | 109.2° | 109.5° |
| O06 | P01 | O05 | 109.7° | 109.5° |
| O10 | P01 | O05 | 110.2° | 109.4° |
| P01 | O10 | H14 | 109.5° | 114.0° |
| P01 | O05 | C05 | 118.7° | 123.0° |
| O04 | C09 | C06 | 120.1° | 120.3° |
| O04 | C09 | N02 | 120.1° | 120.3° |
| C09 | C06 | C07 | 120.1° | 119.1° |
| C06 | C09 | N02 | 119.8° | 119.3° |
| C06 | C07 | N01 | 120.2° | 119.7° |
| C06 | C07 | H10 | 119.9° | 120.2° |
| C09 | N02 | C08 | 119.9° | 120.3° |
| C09 | N02 | H11 | 120.0° | 119.9° |
| O05 | C05 | C01 | 109.0° | 109.4° |
| O05 | C05 | H8 | 109.6° | 109.5° |
| O05 | C05 | H9 | 109.6° | 109.5° |
| C07 | N01 | C08 | 119.8° | 120.6° |
| C07 | N01 | C04 | 120.9° | 119.7° |
| N01 | C07 | H10 | 119.9° | 120.1° |
| C05 | C01 | C02 | 108.9° | 110.7° |
| C05 | C01 | O01 | 109.7° | 110.6° |
| C05 | C01 | H4 | 110.7° | 110.6° |
| C01 | C05 | H8 | 109.6° | 109.5° |
| C01 | C05 | H9 | 109.6° | 109.4° |
| N02 | C08 | N01 | 120.2° | 121.0° |
| N02 | C08 | O03 | 120.2° | 119.5° |
| C08 | N02 | H11 | 120.0° | 119.8° |
| F01 | C03 | C02 | 109.2° | 110.5° |
| F01 | C03 | C04 | 110.0° | 110.5° |
| F01 | C03 | H6 | 110.8° | 110.5° |
| C08 | N01 | C04 | 119.3° | 119.7° |
| N01 | C08 | O03 | 119.6° | 119.5° |
| N01 | C04 | O01 | 110.5° | 110.0° |
| N01 | C04 | C03 | 110.1° | 109.9° |
| N01 | C04 | H7 | 110.4° | 109.9° |
| C01 | C02 | O02 | 109.9° | 110.9° |
| C01 | C02 | C03 | 105.1° | 102.1° |
| C02 | C01 | O01 | 105.9° | 103.5° |
| C02 | C01 | H4 | 110.8° | 110.6° |
| C01 | C02 | H5 | 110.4° | 110.9° |
| O02 | C02 | C03 | 109.5° | 110.9° |
| O02 | C02 | H5 | 111.0° | 110.8° |
| C02 | O02 | H12 | 109.5° | 114.0° |
| C02 | C03 | C04 | 107.2° | 104.2° |
| C03 | C02 | H5 | 110.8° | 110.9° |
| C02 | C03 | H6 | 110.0° | 110.5° |
| C01 | O01 | C04 | 105.9° | 107.0° |
| O01 | C01 | H4 | 110.8° | 110.6° |
| O01 | C04 | C03 | 107.0° | 107.3° |
| O01 | C04 | H7 | 109.4° | 109.9° |
| C04 | C03 | H6 | 109.6° | 110.5° |
| C03 | C04 | H7 | 109.4° | 109.9° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H8 | C05 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | P03 | O09 | O14 | 120.1° | 120.0° |
| O08 | P03 | O09 | O07 | 120.5° | 120.0° |
| O08 | P03 | O14 | O07 | 120.1° | 120.0° |
| O08 | P03 | O07 | P02 | 169.0° | 39.9° |
| O08 | P03 | O09 | H13 | 0.0° | 180.0° |
| O08 | P03 | O14 | H16 | 0.0° | 60.0° |
| O09 | P03 | O14 | O07 | 120.0° | 120.0° |
| O09 | P03 | O07 | P02 | 71.0° | 80.0° |
| O09 | P03 | O14 | H16 | 119.9° | 60.0° |
| O14 | P03 | O07 | P02 | 49.3° | 160.0° |
| O14 | P03 | O09 | H13 | 120.1° | 60.0° |
| P03 | O07 | P02 | O11 | 109.0° | 40.0° |
| P03 | O07 | P02 | O06 | 11.2° | 160.0° |
| P03 | O07 | P02 | O13 | 131.7° | 79.9° |
| O07 | P03 | O09 | H13 | 120.5° | 60.0° |
| O07 | P03 | O14 | H16 | 120.1° | 180.0° |
| O07 | P02 | O11 | O06 | 121.2° | 120.0° |
| O07 | P02 | O11 | O13 | 120.1° | 120.0° |
| O07 | P02 | O06 | O13 | 121.2° | 120.0° |
| O07 | P02 | O06 | P01 | 131.1° | 165.0° |
| O07 | P02 | O13 | H15 | 119.5° | 60.0° |
| O12 | P01 | O06 | P02 | 55.8° | 44.9° |
| O12 | P01 | O06 | O10 | 119.9° | 120.0° |
| O12 | P01 | O06 | O05 | 119.3° | 120.1° |
| O12 | P01 | O10 | O05 | 119.1° | 120.0° |
| O12 | P01 | O05 | C05 | 167.9° | 54.9° |
| O12 | P01 | O10 | H14 | 0.0° | 180.0° |
| O11 | P02 | O06 | O13 | 118.6° | 120.0° |
| O11 | P02 | O06 | P01 | 10.9° | 45.0° |
| O11 | P02 | O13 | H15 | 0.0° | 180.0° |
| P02 | O06 | P01 | O10 | 175.7° | 75.0° |
| P02 | O06 | P01 | O05 | 63.5° | 165.0° |
| O06 | P02 | O13 | H15 | 118.9° | 60.0° |
| O13 | P02 | O06 | P01 | 107.7° | 75.0° |
| C10 | C06 | C09 | O04 | 0.6° | 0.0° |
| C10 | C06 | C09 | C07 | 179.3° | 179.7° |
| C10 | C06 | C09 | N02 | 179.4° | 180.0° |
| C10 | C06 | C07 | N01 | 179.2° | 180.0° |
| C06 | C10 | H1 | H2 | 120.0° | 120.0° |
| C06 | C10 | H1 | H3 | 120.0° | 120.0° |
| C06 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C06 | C07 | H10 | 0.8° | 0.0° |
| O06 | P01 | O10 | O05 | 120.6° | 120.0° |
| O06 | P01 | O05 | C05 | 47.7° | 175.0° |
| O06 | P01 | O10 | H14 | 120.4° | 60.0° |
| O10 | P01 | O05 | C05 | 72.5° | 65.1° |
| P01 | O05 | C05 | C01 | 158.8° | 180.0° |
| P01 | O05 | C05 | H8 | 38.9° | 59.9° |
| P01 | O05 | C05 | H9 | 81.3° | 60.1° |
| O05 | P01 | O10 | H14 | 119.1° | 60.0° |
| O04 | C09 | C06 | N02 | 180.0° | 180.0° |
| O04 | C09 | C06 | C07 | 179.9° | 179.7° |
| O04 | C09 | N02 | C08 | 180.0° | 180.0° |
| O04 | C09 | N02 | H11 | 0.0° | 0.1° |
| C09 | C06 | C07 | N01 | 0.1° | 0.3° |
| C06 | C09 | N02 | C08 | 0.0° | 0.0° |
| C09 | C06 | C10 | H1 | 180.0° | 0.0° |
| C09 | C06 | C10 | H2 | 60.0° | 120.0° |
| C09 | C06 | C10 | H3 | 60.0° | 120.0° |
| C09 | C06 | C07 | H10 | 179.9° | 179.7° |
| C06 | C09 | N02 | H11 | 180.0° | 179.9° |
| C07 | C06 | C09 | N02 | 0.0° | 0.3° |
| C06 | C07 | N01 | H10 | 180.0° | 180.0° |
| C06 | C07 | N01 | C08 | 0.3° | 0.0° |
| C06 | C07 | N01 | C04 | 179.9° | 180.0° |
| C07 | C06 | C10 | H1 | 0.7° | 179.7° |
| C07 | C06 | C10 | H2 | 119.4° | 59.7° |
| C07 | C06 | C10 | H3 | 120.7° | 60.3° |
| C09 | N02 | C08 | H11 | 180.0° | 179.9° |
| C09 | N02 | C08 | N01 | 0.2° | 0.3° |
| C09 | N02 | C08 | O03 | 179.9° | 180.0° |
| O05 | C05 | C01 | H8 | 119.9° | 120.0° |
| O05 | C05 | C01 | H9 | 119.9° | 120.0° |
| O05 | C05 | C01 | C02 | 76.8° | 179.4° |
| O05 | C05 | C01 | O01 | 38.6° | 66.4° |
| O05 | C05 | C01 | H4 | 161.2° | 56.5° |
| O05 | C05 | H8 | H9 | 120.3° | 120.0° |
| C07 | N01 | C08 | N02 | 0.4° | 0.3° |
| C07 | N01 | C08 | C04 | 179.5° | 180.0° |
| C07 | N01 | C08 | O03 | 180.0° | 180.0° |
| C07 | N01 | C04 | O01 | 23.9° | 127.1° |
| C07 | N01 | C04 | C03 | 94.0° | 115.0° |
| C07 | N01 | C04 | H7 | 145.1° | 6.0° |
| C05 | C01 | C02 | O01 | 117.8° | 118.6° |
| C05 | C01 | C02 | H4 | 122.0° | 122.9° |
| C05 | C01 | C02 | O02 | 93.7° | 86.2° |
| C05 | C01 | C02 | C03 | 148.6° | 155.6° |
| C05 | C01 | O01 | H4 | 122.6° | 122.9° |
| C05 | C01 | O01 | C04 | 141.8° | 158.7° |
| C05 | C01 | C02 | H5 | 29.1° | 37.4° |
| C01 | C05 | H8 | H9 | 120.2° | 120.0° |
| N02 | C08 | N01 | O03 | 179.7° | 179.6° |
| N02 | C08 | N01 | C04 | 179.9° | 179.7° |
| F01 | C03 | C04 | N01 | 8.4° | 2.9° |
| F01 | C03 | C02 | C01 | 144.1° | 139.6° |
| F01 | C03 | C02 | O02 | 97.8° | 102.2° |
| F01 | C03 | C02 | C04 | 119.2° | 118.7° |
| F01 | C03 | C02 | H6 | 121.7° | 122.6° |
| F01 | C03 | C04 | O01 | 128.5° | 116.6° |
| F01 | C03 | C04 | H6 | 122.0° | 122.7° |
| F01 | C03 | C02 | H5 | 24.9° | 21.4° |
| F01 | C03 | C04 | H7 | 113.1° | 124.0° |
| C08 | N01 | C04 | O01 | 155.6° | 52.8° |
| C08 | N01 | C04 | C03 | 86.5° | 65.0° |
| C08 | N01 | C04 | H7 | 34.5° | 174.0° |
| C08 | N01 | C07 | H10 | 179.6° | 180.0° |
| N01 | C08 | N02 | H11 | 179.8° | 179.7° |
| N01 | C04 | C03 | C02 | 110.2° | 121.6° |
| C04 | N01 | C08 | O03 | 0.4° | 0.1° |
| N01 | C04 | O01 | C01 | 129.0° | 146.0° |
| N01 | C04 | O01 | C03 | 119.8° | 119.5° |
| N01 | C04 | O01 | H7 | 121.8° | 121.1° |
| N01 | C04 | C03 | H7 | 121.5° | 121.0° |
| N01 | C04 | C03 | H6 | 130.5° | 119.7° |
| C04 | N01 | C07 | H10 | 0.1° | 0.0° |
| C01 | C02 | O02 | C03 | 115.0° | 112.7° |
| C01 | C02 | O02 | H5 | 122.4° | 123.6° |
| C01 | C02 | C03 | H5 | 119.3° | 118.2° |
| C02 | C01 | O01 | H4 | 120.2° | 118.5° |
| C02 | C01 | O01 | C04 | 24.6° | 40.1° |
| C01 | C02 | C03 | C04 | 25.0° | 20.9° |
| C01 | C02 | C03 | H6 | 94.1° | 97.8° |
| C02 | C01 | C05 | H8 | 43.1° | 59.4° |
| C02 | C01 | C05 | H9 | 163.3° | 60.6° |
| C01 | C02 | O02 | H12 | 180.0° | 180.0° |
| O02 | C02 | C03 | H5 | 122.7° | 123.6° |
| O02 | C02 | C01 | O01 | 148.5° | 155.2° |
| O02 | C02 | C03 | C04 | 143.0° | 139.1° |
| O02 | C02 | C01 | H4 | 28.3° | 36.7° |
| O02 | C02 | C03 | H6 | 23.9° | 20.4° |
| C03 | C02 | C01 | O01 | 30.7° | 37.0° |
| C02 | C03 | C04 | O01 | 9.9° | 2.0° |
| C02 | C03 | C04 | H6 | 119.3° | 118.7° |
| C03 | C02 | C01 | H4 | 89.4° | 81.5° |
| C02 | C03 | C04 | H7 | 128.3° | 117.4° |
| C03 | C02 | O02 | H12 | 65.0° | 67.3° |
| O03 | C08 | N02 | H11 | 0.2° | 0.1° |
| C01 | O01 | C04 | C03 | 9.2° | 26.5° |
| O01 | C01 | C02 | H5 | 88.8° | 81.2° |
| C01 | O01 | C04 | H7 | 109.2° | 92.9° |
| O01 | C01 | C05 | H8 | 158.5° | 173.5° |
| O01 | C01 | C05 | H9 | 81.3° | 53.5° |
| O01 | C04 | C03 | H7 | 118.4° | 119.4° |
| C04 | O01 | C01 | H4 | 95.6° | 78.4° |
| O01 | C04 | C03 | H6 | 109.5° | 120.7° |
| C04 | C03 | C02 | H5 | 94.3° | 97.3° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H4 | C01 | C02 | H5 | 151.1° | 160.3° |
| H4 | C01 | C05 | H8 | 78.9° | 63.6° |
| H4 | C01 | C05 | H9 | 41.3° | 176.4° |
| H5 | C02 | C03 | H6 | 146.6° | 144.0° |
| H5 | C02 | O02 | H12 | 57.6° | 56.4° |
| H6 | C03 | C04 | H7 | 8.9° | 1.3° |






